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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1 – 15 de 205 résultats

Sodium trichloroacetate, 97%

CAS: 650-51-1 Formule moléculaire: C2Cl3NaO2 Poids moléculaire (g/mol): 185.36 Numéro MDL: MFCD00064198 Clé InChI: SAQSTQBVENFSKT-UHFFFAOYSA-M Synonyme: sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca CID PubChem: 23681045 ChEBI: CHEBI:81976 Nom IUPAC: sodium;2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]

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Poids moléculaire (g/mol)	185.36
Synonyme	sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca
Numéro MDL	MFCD00064198
CAS	650-51-1
CID PubChem	23681045
ChEBI	CHEBI:81976
Nom IUPAC	sodium;2,2,2-trichloroacetate
Clé InChI	SAQSTQBVENFSKT-UHFFFAOYSA-M
SMILES	C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]
Formule moléculaire	C2Cl3NaO2

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 CID PubChem: 67888 Nom IUPAC: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F

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Poids moléculaire (g/mol)	196.05
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
CAS	407-38-5
CID PubChem	67888
Nom IUPAC	2,2,2-trifluoroethyl 2,2,2-trifluoroacetate
Clé InChI	ZKUJOCJJXCPCFS-UHFFFAOYSA-N
SMILES	FC(F)(F)COC(=O)C(F)(F)F
Formule moléculaire	C4H2F6O2

Sodium bromoacetate, 98%

CAS: 1068-52-6 Formule moléculaire: C2H2BrNaO2 Poids moléculaire (g/mol): 160.93 Numéro MDL: MFCD01311832 Clé InChI: SESSOVUNEZQNBV-UHFFFAOYSA-M Synonyme: sodium bromoacetate,sodium 2-bromoacetate,sodium monobromoacetate,unii-8j155ck8pv,acetic acid, bromo-, sodium salt,bromoacetic acid sodium salt,acmc-1bowb,sodium bromoacetate, ?brch2coona,acetic acid,bromo-,sodium salt 8ci,9ci,acetic acid, bromo-,sodium salt 8ci,9ci CID PubChem: 23675628 Nom IUPAC: sodium;2-bromoacetate SMILES: C(C(=O)[O-])Br.[Na+]

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Poids moléculaire (g/mol)	160.93
Synonyme	sodium bromoacetate,sodium 2-bromoacetate,sodium monobromoacetate,unii-8j155ck8pv,acetic acid, bromo-, sodium salt,bromoacetic acid sodium salt,acmc-1bowb,sodium bromoacetate, ?brch2coona,acetic acid,bromo-,sodium salt 8ci,9ci,acetic acid, bromo-,sodium salt 8ci,9ci
Numéro MDL	MFCD01311832
CAS	1068-52-6
CID PubChem	23675628
Nom IUPAC	sodium;2-bromoacetate
Clé InChI	SESSOVUNEZQNBV-UHFFFAOYSA-M
SMILES	C(C(=O)[O-])Br.[Na+]
Formule moléculaire	C2H2BrNaO2

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 CID PubChem: 2782828 Nom IUPAC: 2-fluoro-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)F

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Poids moléculaire (g/mol)	106.096
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
CAS	63812-15-7
CID PubChem	2782828
Nom IUPAC	2-fluoro-2-methylpropanoic acid
Clé InChI	NZDOWZQRNZLBOY-UHFFFAOYSA-N
SMILES	CC(C)(C(=O)O)F
Formule moléculaire	C4H7FO2

Ethyl fluoroacetate, 98%

CAS: 459-72-3 Formule moléculaire: C4H7FO2 Poids moléculaire (g/mol): 106.096 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 CID PubChem: 9988 Nom IUPAC: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF

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Poids moléculaire (g/mol)	106.096
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
CAS	459-72-3
CID PubChem	9988
Nom IUPAC	ethyl 2-fluoroacetate
Clé InChI	VCYZVXRKYPKDQB-UHFFFAOYSA-N
SMILES	CCOC(=O)CF
Formule moléculaire	C4H7FO2

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 CID PubChem: 69585 Nom IUPAC: ethyl 2-bromo-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Br

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Poids moléculaire (g/mol)	202.99
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
CAS	667-27-6
CID PubChem	69585
Nom IUPAC	ethyl 2-bromo-2,2-difluoroacetate
Clé InChI	IRSJDVYTJUCXRV-UHFFFAOYSA-N
SMILES	CCOC(=O)C(F)(F)Br
Formule moléculaire	C₄H₅BrF₂O₂

(+/-)-2-Chloropropionic acid, 94%

CAS: 598-78-7 Formule moléculaire: C3H5ClO2 Poids moléculaire (g/mol): 108.52 Numéro MDL: MFCD00004224 Clé InChI: GAWAYYRQGQZKCR-UHFFFAOYNA-N Synonyme: 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro CID PubChem: 11734 Nom IUPAC: 2-chloropropanoic acid SMILES: CC(Cl)C(O)=O

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Poids moléculaire (g/mol)	108.52
Synonyme	2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro
Numéro MDL	MFCD00004224
CAS	598-78-7
CID PubChem	11734
Nom IUPAC	2-chloropropanoic acid
Clé InChI	GAWAYYRQGQZKCR-UHFFFAOYNA-N
SMILES	CC(Cl)C(O)=O
Formule moléculaire	C3H5ClO2

Ethyl chloroacetate, 99%

CAS: 105-39-5 Formule moléculaire: C4H7ClO2 Poids moléculaire (g/mol): 122.548 Numéro MDL: MFCD00000932 Clé InChI: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonyme: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf CID PubChem: 7751 Nom IUPAC: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

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Poids moléculaire (g/mol)	122.548
Synonyme	ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf
Numéro MDL	MFCD00000932
CAS	105-39-5
CID PubChem	7751
Nom IUPAC	ethyl 2-chloroacetate
Clé InChI	VEUUMBGHMNQHGO-UHFFFAOYSA-N
SMILES	CCOC(=O)CCl
Formule moléculaire	C4H7ClO2

alpha,alpha-Difluorophenylacetic acid, 97%

CAS: 360-03-2 Formule moléculaire: C8H6F2O2 Poids moléculaire (g/mol): 172.131 Numéro MDL: MFCD00498146 Clé InChI: PFKSLFZFBCIJOI-UHFFFAOYSA-N CID PubChem: 726153 Nom IUPAC: 2,2-difluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)(F)F

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Poids moléculaire (g/mol)	172.131
Numéro MDL	MFCD00498146
CAS	360-03-2
CID PubChem	726153
Nom IUPAC	2,2-difluoro-2-phenylacetic acid
Clé InChI	PFKSLFZFBCIJOI-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C(C(=O)O)(F)F
Formule moléculaire	C8H6F2O2

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 CID PubChem: 79071 Nom IUPAC: ethyl 2-bromopentanoate SMILES: CCCC(C(=O)OCC)Br

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

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 CID PubChem: 94944 Nom IUPAC: diethyl 2-bromo-2-methylpropanedioate SMILES: CCOC(=O)C(C)(Br)C(=O)OCC

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Poids moléculaire (g/mol)	253.09
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
CAS	29263-94-3
CID PubChem	94944
Nom IUPAC	diethyl 2-bromo-2-methylpropanedioate
Clé InChI	CSLQAXTUGPUBCW-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C)(Br)C(=O)OCC
Formule moléculaire	C8H13BrO4

Diethyl tetrafluorosuccinate, 97%

CAS: 377-71-9 Formule moléculaire: C8H10F4O4 Poids moléculaire (g/mol): 246.158 Numéro MDL: MFCD00015155 Clé InChI: BLZSSBPZHBFNBN-UHFFFAOYSA-N Synonyme: diethyl tetrafluorosuccinate,diethyl perfluorosuccinate,butanedioic acid, tetrafluoro-, diethyl ester,diethyl 2,2,3,3-tetrafluorosuccinate,butanedioic acid, 2,2,3,3-tetrafluoro-, 1,4-diethyl ester,1,4-diethyl 2,2,3,3-tetrafluorobutanedioate,diethyl 2,2,3,3-tetrafluorobutane-1,4-dioate,diethyltetrafluorosuccinate,ethyl perfluorosuccinate,acmc-1cqkj CID PubChem: 67834 Nom IUPAC: diethyl 2,2,3,3-tetrafluorobutanedioate SMILES: CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F

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Poids moléculaire (g/mol)	246.158
Synonyme	diethyl tetrafluorosuccinate,diethyl perfluorosuccinate,butanedioic acid, tetrafluoro-, diethyl ester,diethyl 2,2,3,3-tetrafluorosuccinate,butanedioic acid, 2,2,3,3-tetrafluoro-, 1,4-diethyl ester,1,4-diethyl 2,2,3,3-tetrafluorobutanedioate,diethyl 2,2,3,3-tetrafluorobutane-1,4-dioate,diethyltetrafluorosuccinate,ethyl perfluorosuccinate,acmc-1cqkj
Numéro MDL	MFCD00015155
CAS	377-71-9
CID PubChem	67834
Nom IUPAC	diethyl 2,2,3,3-tetrafluorobutanedioate
Clé InChI	BLZSSBPZHBFNBN-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F
Formule moléculaire	C8H10F4O4

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 # CID PubChem: 70087 Nom IUPAC: dimethyl 2-bromopropanedioate SMILES: COC(=O)C(C(=O)OC)Br

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Poids moléculaire (g/mol)	211.02
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
CAS	868-26-8
CID PubChem	70087
Nom IUPAC	dimethyl 2-bromopropanedioate
Clé InChI	NEMOJKROKMMQBQ-UHFFFAOYSA-N
SMILES	COC(=O)C(C(=O)OC)Br
Formule moléculaire	C₅H₇BrO₄

Ethyl 2-fluoroisobutyrate, 97%, Thermo Scientific Chemicals

CAS: 55816-69-8 Formule moléculaire: C6H11FO2 Poids moléculaire (g/mol): 134.15 Numéro MDL: MFCD08062432 Clé InChI: CJRQQJKWNULSFQ-UHFFFAOYSA-N Synonyme: ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester CID PubChem: 10898763 Nom IUPAC: ethyl 2-fluoro-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)F

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Poids moléculaire (g/mol)	134.15
Synonyme	ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester
Numéro MDL	MFCD08062432
CAS	55816-69-8
CID PubChem	10898763
Nom IUPAC	ethyl 2-fluoro-2-methylpropanoate
Clé InChI	CJRQQJKWNULSFQ-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C)(C)F
Formule moléculaire	C6H11FO2

DL-2-Bromopropionic acid, 99%

CAS: 598-72-1 Formule moléculaire: C3H5BrO2 Poids moléculaire (g/mol): 152.98 Numéro MDL: MFCD00004211,MFCD00145205 Clé InChI: MONMFXREYOKQTI-UHFFFAOYNA-N Synonyme: 2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo CID PubChem: 11729 Nom IUPAC: 2-bromopropanoic acid SMILES: CC(Br)C(O)=O

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Poids moléculaire (g/mol)	152.98
Synonyme	2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo
Numéro MDL	MFCD00004211,MFCD00145205
CAS	598-72-1
CID PubChem	11729
Nom IUPAC	2-bromopropanoic acid
Clé InChI	MONMFXREYOKQTI-UHFFFAOYNA-N
SMILES	CC(Br)C(O)=O
Formule moléculaire	C3H5BrO2

Alpha-halocarboxylic acids and derivatives

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