Alpha-halocarboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to a halogen group in the alpha position; halogen groups consist of one or more halogen atoms (F, Cl, B, I, At). Includes compounds that are derived from alpha-halocarboxylic acids.

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LiChropur™ Ammonium Trifluoroacetate, MilliporeSigma™ Supelco™

CAS: 3336-58-1 Formule moléculaire: C2H5F3NO2 Poids moléculaire (g/mol): 132.06 Numéro MDL: MFCD00012615,MFCD03095537 Clé InChI: YCNIBOIOWCTRCL-UHFFFAOYSA-O Synonyme: Trifluoroacetic acid ammonium salt Nom de l’IUPAC: ammonium trifluoroacetic acid SOURIRES: [NH4+].OC(=O)C(F)(F)F

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Poids moléculaire (g/mol)	132.06
Synonyme	Trifluoroacetic acid ammonium salt
Numéro MDL	MFCD00012615,MFCD03095537
Nom de l’IUPAC	ammonium trifluoroacetic acid
CAS	3336-58-1
Clé InChI	YCNIBOIOWCTRCL-UHFFFAOYSA-O
SOURIRES	[NH4+].OC(=O)C(F)(F)F
Formule moléculaire	C2H5F3NO2

Ethyl 2-bromoisobutyrate, 98+%

CAS: 600-00-0 Formule moléculaire: C6H11BrO2 Poids moléculaire (g/mol): 195.06 Numéro MDL: MFCD00000123 Clé InChI: IOLQWGVDEFWYNP-UHFFFAOYSA-N Synonyme: ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester PubChem CID: 11745 Nom de l’IUPAC: ethyl 2-bromo-2-methylpropanoate SOURIRES: CCOC(=O)C(C)(C)Br

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Poids moléculaire (g/mol)	195.06
PubChem CID	11745
Synonyme	ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester
Numéro MDL	MFCD00000123
Nom de l’IUPAC	ethyl 2-bromo-2-methylpropanoate
CAS	600-00-0
Clé InChI	IOLQWGVDEFWYNP-UHFFFAOYSA-N
SOURIRES	CCOC(=O)C(C)(C)Br
Formule moléculaire	C6H11BrO2

Ethyl 2-bromovalerate, 97%

CAS: 615-83-8 Formule moléculaire: C7H13BrO2 Poids moléculaire (g/mol): 209.083 Numéro MDL: MFCD00000159 Clé InChI: ORSIRXYHFPHWTN-UHFFFAOYSA-N PubChem CID: 79071 Nom de l’IUPAC: ethyl 2-bromopentanoate SOURIRES: CCCC(C(=O)OCC)Br

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Poids moléculaire (g/mol)	209.083
PubChem CID	79071
Numéro MDL	MFCD00000159
Nom de l’IUPAC	ethyl 2-bromopentanoate
CAS	615-83-8
Clé InChI	ORSIRXYHFPHWTN-UHFFFAOYSA-N
SOURIRES	CCCC(C(=O)OCC)Br
Formule moléculaire	C7H13BrO2

2-Fluoroisobutyric acid, 95%

CAS: 63812-15-7 Formule moléculaire: C4H7FO2 Poids moléculaire (g/mol): 106.096 Numéro MDL: MFCD03452788 Clé InChI: NZDOWZQRNZLBOY-UHFFFAOYSA-N Synonyme: 2-fluoroisobutyric acid,2-fluoroisobutanoic acid,2-fluoro-2-methyl-propanoic acid,2-fluoro-2-methylpropionic acid,fluoroisobutyric acid,acmc-1b6kg,2-methyl-2-fluoropropionic acid,2-fluoro-2-methyl-propionic acid,2-fluoranyl-2-methyl-propanoic acid,propanoic acid, 2-fluoro-2-methyl PubChem CID: 2782828 Nom de l’IUPAC: 2-fluoro-2-methylpropanoic acid SOURIRES: CC(C)(C(=O)O)F

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Poids moléculaire (g/mol)	106.096
PubChem CID	2782828
Synonyme	2-fluoroisobutyric acid,2-fluoroisobutanoic acid,2-fluoro-2-methyl-propanoic acid,2-fluoro-2-methylpropionic acid,fluoroisobutyric acid,acmc-1b6kg,2-methyl-2-fluoropropionic acid,2-fluoro-2-methyl-propionic acid,2-fluoranyl-2-methyl-propanoic acid,propanoic acid, 2-fluoro-2-methyl
Numéro MDL	MFCD03452788
Nom de l’IUPAC	2-fluoro-2-methylpropanoic acid
CAS	63812-15-7
Clé InChI	NZDOWZQRNZLBOY-UHFFFAOYSA-N
SOURIRES	CC(C)(C(=O)O)F
Formule moléculaire	C4H7FO2

Dimethyl bromomalonate, 90%, tech.

CAS: 868-26-8 Formule moléculaire: C₅H₇BrO₄ Poids moléculaire (g/mol): 211.02 Numéro MDL: MFCD00025865 Clé InChI: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonyme: dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # PubChem CID: 70087 Nom de l’IUPAC: dimethyl 2-bromopropanedioate SOURIRES: COC(=O)C(C(=O)OC)Br

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Poids moléculaire (g/mol)	211.02
PubChem CID	70087
Synonyme	dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate #
Numéro MDL	MFCD00025865
Nom de l’IUPAC	dimethyl 2-bromopropanedioate
CAS	868-26-8
Clé InChI	NEMOJKROKMMQBQ-UHFFFAOYSA-N
SOURIRES	COC(=O)C(C(=O)OC)Br
Formule moléculaire	C₅H₇BrO₄

2,2,2-Trifluoroethyl trifluoroacetate, 97+%, Thermo Scientific Chemicals

CAS: 407-38-5 Formule moléculaire: C4H2F6O2 Poids moléculaire (g/mol): 196.05 Numéro MDL: MFCD00000418 Clé InChI: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonyme: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 Nom de l’IUPAC: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SOURIRES: FC(F)(F)COC(=O)C(F)(F)F

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Poids moléculaire (g/mol)	196.05
PubChem CID	67888
Synonyme	2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate
Numéro MDL	MFCD00000418
Nom de l’IUPAC	2,2,2-trifluoroethyl 2,2,2-trifluoroacetate
CAS	407-38-5
Clé InChI	ZKUJOCJJXCPCFS-UHFFFAOYSA-N
SOURIRES	FC(F)(F)COC(=O)C(F)(F)F
Formule moléculaire	C4H2F6O2

Diethyl 2-bromo-2-methylmalonate, 98%

CAS: 29263-94-3 Formule moléculaire: C8H13BrO4 Poids moléculaire (g/mol): 253.09 Numéro MDL: MFCD00009125 Clé InChI: CSLQAXTUGPUBCW-UHFFFAOYSA-N Synonyme: diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate PubChem CID: 94944 Nom de l’IUPAC: diethyl 2-bromo-2-methylpropanedioate SOURIRES: CCOC(=O)C(C)(Br)C(=O)OCC

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Poids moléculaire (g/mol)	253.09
PubChem CID	94944
Synonyme	diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate
Numéro MDL	MFCD00009125
Nom de l’IUPAC	diethyl 2-bromo-2-methylpropanedioate
CAS	29263-94-3
Clé InChI	CSLQAXTUGPUBCW-UHFFFAOYSA-N
SOURIRES	CCOC(=O)C(C)(Br)C(=O)OCC
Formule moléculaire	C8H13BrO4

Iodoacetic acid, sodium salt, 99%

CAS: 305-53-3 Formule moléculaire: C₂H₂INaO₂ Poids moléculaire (g/mol): 207.93 Numéro MDL: MFCD00002686 Clé InChI: AGDSCTQQXMDDCV-UHFFFAOYSA-M Synonyme: sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232 PubChem CID: 5239 Nom de l’IUPAC: sodium;2-iodoacetate SOURIRES: C(C(=O)[O-])I.[Na+]

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Poids moléculaire (g/mol)	207.93
PubChem CID	5239
Synonyme	sodium iodoacetate,iodoacetic acid sodium salt,acetic acid, iodo-, sodium salt,sodium 2-iodoacetate,sodium monoiodoacetate,iodoacetate, sodium salt,sodium iodacetate,iodoacetic acid, sodium salt,unii-07814f2qri,ccris 9232
Numéro MDL	MFCD00002686
Nom de l’IUPAC	sodium;2-iodoacetate
CAS	305-53-3
Clé InChI	AGDSCTQQXMDDCV-UHFFFAOYSA-M
SOURIRES	C(C(=O)[O-])I.[Na+]
Formule moléculaire	C₂H₂INaO₂

tert-Butyl bromoacetate, 99%

CAS: 5292-43-3 Formule moléculaire: C6H11BrO2 Poids moléculaire (g/mol): 195.06 Numéro MDL: MFCD00000188 Clé InChI: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonyme: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 Nom de l’IUPAC: tert-butyl 2-bromoacetate SOURIRES: CC(C)(C)OC(=O)CBr

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Poids moléculaire (g/mol)	195.06
PubChem CID	79177
Synonyme	tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
Numéro MDL	MFCD00000188
Nom de l’IUPAC	tert-butyl 2-bromoacetate
CAS	5292-43-3
Clé InChI	BNWCETAHAJSBFG-UHFFFAOYSA-N
SOURIRES	CC(C)(C)OC(=O)CBr
Formule moléculaire	C6H11BrO2

Ethyl fluoroacetate, 97%, Thermo Scientific Chemicals

CAS: 459-72-3 Formule moléculaire: C₄H₇FO₂ Poids moléculaire (g/mol): 106.1 Numéro MDL: MFCD00000450 Clé InChI: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonyme: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 Nom de l’IUPAC: ethyl 2-fluoroacetate SOURIRES: CCOC(=O)CF

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Poids moléculaire (g/mol)	106.1
PubChem CID	9988
Synonyme	ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester
Numéro MDL	MFCD00000450
Nom de l’IUPAC	ethyl 2-fluoroacetate
CAS	459-72-3
Clé InChI	VCYZVXRKYPKDQB-UHFFFAOYSA-N
SOURIRES	CCOC(=O)CF
Formule moléculaire	C₄H₇FO₂

Ethyl 2-bromoisovalerate, 97%

CAS: 609-12-1 Formule moléculaire: C7H13BrO2 Poids moléculaire (g/mol): 209.083 Numéro MDL: MFCD00026855 Clé InChI: WNFUWONOILPKNX-UHFFFAOYSA-N Synonyme: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 Nom de l’IUPAC: ethyl 2-bromo-3-methylbutanoate SOURIRES: CCOC(=O)C(C(C)C)Br

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Poids moléculaire (g/mol)	209.083
PubChem CID	79068
Synonyme	ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate
Numéro MDL	MFCD00026855
Nom de l’IUPAC	ethyl 2-bromo-3-methylbutanoate
CAS	609-12-1
Clé InChI	WNFUWONOILPKNX-UHFFFAOYSA-N
SOURIRES	CCOC(=O)C(C(C)C)Br
Formule moléculaire	C7H13BrO2

Allyl chloroacetate, 98%

CAS: 2916-14-5 Formule moléculaire: C5H7ClO2 Poids moléculaire (g/mol): 134.559 Numéro MDL: MFCD00058936 Clé InChI: VMBJJCDVORDOCF-UHFFFAOYSA-N Synonyme: allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester PubChem CID: 76206 Nom de l’IUPAC: prop-2-enyl 2-chloroacetate SOURIRES: C=CCOC(=O)CCl

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Poids moléculaire (g/mol)	134.559
PubChem CID	76206
Synonyme	allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester
Numéro MDL	MFCD00058936
Nom de l’IUPAC	prop-2-enyl 2-chloroacetate
CAS	2916-14-5
Clé InChI	VMBJJCDVORDOCF-UHFFFAOYSA-N
SOURIRES	C=CCOC(=O)CCl
Formule moléculaire	C5H7ClO2

Ethyl 1-bromocyclobutanecarboxylate, 96%

CAS: 35120-18-4 Formule moléculaire: C₇H₁₁BrO₂ Poids moléculaire (g/mol): 207.06 Numéro MDL: MFCD00001322 Clé InChI: UTVNSHXHFRIXMM-UHFFFAOYSA-N Synonyme: ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane PubChem CID: 97595 Nom de l’IUPAC: ethyl 1-bromocyclobutane-1-carboxylate SOURIRES: CCOC(=O)C1(CCC1)Br

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Poids moléculaire (g/mol)	207.06
PubChem CID	97595
Synonyme	ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane
Numéro MDL	MFCD00001322
Nom de l’IUPAC	ethyl 1-bromocyclobutane-1-carboxylate
CAS	35120-18-4
Clé InChI	UTVNSHXHFRIXMM-UHFFFAOYSA-N
SOURIRES	CCOC(=O)C1(CCC1)Br
Formule moléculaire	C₇H₁₁BrO₂

Ethyl bromodifluoroacetate, 98%

CAS: 667-27-6 Formule moléculaire: C₄H₅BrF₂O₂ Poids moléculaire (g/mol): 202.99 Numéro MDL: MFCD00042069 Clé InChI: IRSJDVYTJUCXRV-UHFFFAOYSA-N Synonyme: ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 PubChem CID: 69585 Nom de l’IUPAC: ethyl 2-bromo-2,2-difluoroacetate SOURIRES: CCOC(=O)C(F)(F)Br

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Poids moléculaire (g/mol)	202.99
PubChem CID	69585
Synonyme	ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953
Numéro MDL	MFCD00042069
Nom de l’IUPAC	ethyl 2-bromo-2,2-difluoroacetate
CAS	667-27-6
Clé InChI	IRSJDVYTJUCXRV-UHFFFAOYSA-N
SOURIRES	CCOC(=O)C(F)(F)Br
Formule moléculaire	C₄H₅BrF₂O₂

Lithium trifluoroacetate monohydrate, 97%

CAS: 2923-17-3 Formule moléculaire: C2F3LiO2 Poids moléculaire (g/mol): 119.96 Numéro MDL: MFCD00013216,MFCD00149663 Clé InChI: HSFDLPWPRRSVSM-UHFFFAOYSA-M Synonyme: lithium trifluoroacetate,acetic acid, trifluoro-, lithium salt,lithium 2,2,2-trifluoroacetate,lithiumtrifluoroacetate,acmc-1cfal,lithotab trifluoroacetate,acetic acid, 2,2,2-trifluoro-, lithium salt 1:1,lithium trifluoroacetate, monohydrate,lithium 1+ trifluoroacetate,lithio 2,2,2-trifluoroacetate PubChem CID: 23661853 Nom de l’IUPAC: lithium;2,2,2-trifluoroacetate SOURIRES: [Li+].[O-]C(=O)C(F)(F)F

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Poids moléculaire (g/mol)	119.96
PubChem CID	23661853
Synonyme	lithium trifluoroacetate,acetic acid, trifluoro-, lithium salt,lithium 2,2,2-trifluoroacetate,lithiumtrifluoroacetate,acmc-1cfal,lithotab trifluoroacetate,acetic acid, 2,2,2-trifluoro-, lithium salt 1:1,lithium trifluoroacetate, monohydrate,lithium 1+ trifluoroacetate,lithio 2,2,2-trifluoroacetate
Numéro MDL	MFCD00013216,MFCD00149663
Nom de l’IUPAC	lithium;2,2,2-trifluoroacetate
CAS	2923-17-3
Clé InChI	HSFDLPWPRRSVSM-UHFFFAOYSA-M
SOURIRES	[Li+].[O-]C(=O)C(F)(F)F
Formule moléculaire	C2F3LiO2

Alpha-halocarboxylic acids and derivatives

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