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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Diisopropylamine dichloroacetate, 95%, Thermo Scientific Chemicals

CAS: 660-27-5 Formule moléculaire: C8H17Cl2NO2 Poids moléculaire (g/mol): 230.13 Numéro MDL: MFCD00868288 Clé InChI: ILKBHIBYKSHTKQ-UHFFFAOYSA-N Synonyme: diisopropylamine dichloroacetate,diisopropylammonium dichloroacetate,diisopropylamine 2,2-dichloroacetate,vasculopatina,dipromonium,cubisol,dapocel,disotat,kalodil,oxypangam CID PubChem: 12617 Nom IUPAC: 2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine SMILES: OC(=O)C(Cl)Cl.CC(C)NC(C)C

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Poids moléculaire (g/mol)	230.13
Synonyme	diisopropylamine dichloroacetate,diisopropylammonium dichloroacetate,diisopropylamine 2,2-dichloroacetate,vasculopatina,dipromonium,cubisol,dapocel,disotat,kalodil,oxypangam
Numéro MDL	MFCD00868288
CAS	660-27-5
CID PubChem	12617
Nom IUPAC	2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine
Clé InChI	ILKBHIBYKSHTKQ-UHFFFAOYSA-N
SMILES	OC(=O)C(Cl)Cl.CC(C)NC(C)C
Formule moléculaire	C8H17Cl2NO2

Ethyl oxalyl chloride, 98%

CAS: 4755-77-5 Formule moléculaire: C4H5ClO3 Poids moléculaire (g/mol): 136.531 Numéro MDL: MFCD00000706 Clé InChI: OWZFULPEVHKEKS-UHFFFAOYSA-N Synonyme: ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate CID PubChem: 20884 Nom IUPAC: ethyl 2-chloro-2-oxoacetate SMILES: CCOC(=O)C(=O)Cl

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Poids moléculaire (g/mol)	136.531
Synonyme	ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate
Numéro MDL	MFCD00000706
CAS	4755-77-5
CID PubChem	20884
Nom IUPAC	ethyl 2-chloro-2-oxoacetate
Clé InChI	OWZFULPEVHKEKS-UHFFFAOYSA-N
SMILES	CCOC(=O)C(=O)Cl
Formule moléculaire	C4H5ClO3

Ethyl alpha-bromophenylacetate, 97%

CAS: 2882-19-1 Formule moléculaire: C10H11BrO2 Poids moléculaire (g/mol): 243.10 Numéro MDL: MFCD00013536 Clé InChI: BKTKLDMYHTUESO-UHFFFAOYNA-N Synonyme: ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate CID PubChem: 97780 Nom IUPAC: ethyl 2-bromo-2-phenylacetate SMILES: CCOC(=O)C(Br)C1=CC=CC=C1

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Poids moléculaire (g/mol)	243.10
Synonyme	ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate
Numéro MDL	MFCD00013536
CAS	2882-19-1
CID PubChem	97780
Nom IUPAC	ethyl 2-bromo-2-phenylacetate
Clé InChI	BKTKLDMYHTUESO-UHFFFAOYNA-N
SMILES	CCOC(=O)C(Br)C1=CC=CC=C1
Formule moléculaire	C10H11BrO2

DL-Ethyl 2-bromopropionate, 99%

CAS: 535-11-5 Formule moléculaire: C5H9BrO2 Poids moléculaire (g/mol): 181.03 Numéro MDL: MFCD00000144 Clé InChI: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonyme: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate CID PubChem: 79040 Nom IUPAC: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br

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Poids moléculaire (g/mol)	181.03
Synonyme	ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate
Numéro MDL	MFCD00000144
CAS	535-11-5
CID PubChem	79040
Nom IUPAC	ethyl 2-bromopropanoate
Clé InChI	ARFLASKVLJTEJD-UHFFFAOYNA-N
SMILES	CCOC(=O)C(C)Br
Formule moléculaire	C5H9BrO2

Isopropyl chloroacetate, 99%

CAS: 105-48-6 Formule moléculaire: C5H9ClO2 Poids moléculaire (g/mol): 136.58 Numéro MDL: MFCD00040410 Clé InChI: VODRWDBLLGYRJT-UHFFFAOYSA-N Synonyme: isopropyl chloroacetate,chloroacetic acid isopropyl ester,acetic acid, chloro-, 1-methylethyl ester,iso-propyl chloroacetate,clch2c o och ch3 2,ccris 7748,acetic acid, chloro-, isopropyl ester,acetic acid, 2-chloro-, 1-methylethyl ester,chloroacetic acid, 1-methyl ester,monochloroacetic acid isopropyl ester CID PubChem: 7759 Nom IUPAC: propan-2-yl 2-chloroacetate SMILES: CC(C)OC(=O)CCl

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Poids moléculaire (g/mol)	136.58
Synonyme	isopropyl chloroacetate,chloroacetic acid isopropyl ester,acetic acid, chloro-, 1-methylethyl ester,iso-propyl chloroacetate,clch2c o och ch3 2,ccris 7748,acetic acid, chloro-, isopropyl ester,acetic acid, 2-chloro-, 1-methylethyl ester,chloroacetic acid, 1-methyl ester,monochloroacetic acid isopropyl ester
Numéro MDL	MFCD00040410
CAS	105-48-6
CID PubChem	7759
Nom IUPAC	propan-2-yl 2-chloroacetate
Clé InChI	VODRWDBLLGYRJT-UHFFFAOYSA-N
SMILES	CC(C)OC(=O)CCl
Formule moléculaire	C5H9ClO2

Potassium trifluoroacetate, 98%

CAS: 2923-16-2 Formule moléculaire: C2F3KO2 Poids moléculaire (g/mol): 152.11 Numéro MDL: MFCD00013215 Clé InChI: CUNPJFGIODEJLQ-UHFFFAOYSA-M Synonyme: potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate CID PubChem: 23662811 SMILES: [K+].[O-]C(=O)C(F)(F)F

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Poids moléculaire (g/mol)	152.11
Synonyme	potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate
Numéro MDL	MFCD00013215
CAS	2923-16-2
CID PubChem	23662811
Clé InChI	CUNPJFGIODEJLQ-UHFFFAOYSA-M
SMILES	[K+].[O-]C(=O)C(F)(F)F
Formule moléculaire	C2F3KO2

Lithium trifluoroacetate, 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 CID PubChem: 23661853 Nom IUPAC: lithium;2,2,2-trifluoroacetate SMILES: [Li+].[O-]C(=O)C(F)(F)F

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Poids moléculaire (g/mol)	119.96
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
CAS	2923-17-3
CID PubChem	23661853
Nom IUPAC	lithium;2,2,2-trifluoroacetate
Clé InChI	HSFDLPWPRRSVSM-UHFFFAOYSA-M
SMILES	[Li+].[O-]C(=O)C(F)(F)F
Formule moléculaire	C2F3LiO2

Ammonium trifluoroacetate, 98%

CAS: 3336-58-1 Formule moléculaire: C2H5F3NO2 Poids moléculaire (g/mol): 132.06 Numéro MDL: MFCD00012615,MFCD03095537 Clé InChI: YCNIBOIOWCTRCL-UHFFFAOYSA-O Synonyme: ammonium trifluoroacetate,azanium 2,2,2-trifluoroacetate,ammoniumtrifluoroacetate,ammonium triflouroacetate,cf3coonh4,acmc-1cq68,2,2,2-trifluoroacetic acid, azamethane,acetic acid, trifluoro-, ammonium salt 8ci 9ci CID PubChem: 86601334 Nom IUPAC: azanium;2,2,2-trifluoroacetic acid SMILES: [NH4+].OC(=O)C(F)(F)F

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Poids moléculaire (g/mol)	132.06
Synonyme	ammonium trifluoroacetate,azanium 2,2,2-trifluoroacetate,ammoniumtrifluoroacetate,ammonium triflouroacetate,cf3coonh4,acmc-1cq68,2,2,2-trifluoroacetic acid, azamethane,acetic acid, trifluoro-, ammonium salt 8ci 9ci
Numéro MDL	MFCD00012615,MFCD03095537
CAS	3336-58-1
CID PubChem	86601334
Nom IUPAC	azanium;2,2,2-trifluoroacetic acid
Clé InChI	YCNIBOIOWCTRCL-UHFFFAOYSA-O
SMILES	[NH4+].OC(=O)C(F)(F)F
Formule moléculaire	C2H5F3NO2

Ethyl hexafluoroglutaryl chloride, 97%, Thermo Scientific Chemicals

CAS: 18381-53-8 Formule moléculaire: C7H5ClF6O3 Poids moléculaire (g/mol): 286.55 Numéro MDL: MFCD00054671 Clé InChI: OLRXGDHRDQKNGW-UHFFFAOYSA-N CID PubChem: 161251 Nom IUPAC: ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate SMILES: CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O

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Poids moléculaire (g/mol)	286.55
Numéro MDL	MFCD00054671
CAS	18381-53-8
CID PubChem	161251
Nom IUPAC	ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
Clé InChI	OLRXGDHRDQKNGW-UHFFFAOYSA-N
SMILES	CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O
Formule moléculaire	C7H5ClF6O3

2-Chloroacrylic acid, 96%, stab. with ca 0.3% BHT

CAS: 598-79-8 Formule moléculaire: C3H3ClO2 Poids moléculaire (g/mol): 106.51 Numéro MDL: MFCD00014336 Clé InChI: SZTBMYHIYNGYIA-UHFFFAOYSA-N Synonyme: 2-chloroacrylic acid,chloroacrylic acid,2-propenoic acid, 2-chloro,alpha-chloroacrylic acid,acrylic acid, 2-chloro,2-chloro-2-propenoic acid,.alpha.-chloroacrylic acid,acmc-1aqt3 CID PubChem: 11735 ChEBI: CHEBI:73963 Nom IUPAC: 2-chloroprop-2-enoic acid SMILES: OC(=O)C(Cl)=C

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Poids moléculaire (g/mol)	106.51
Synonyme	2-chloroacrylic acid,chloroacrylic acid,2-propenoic acid, 2-chloro,alpha-chloroacrylic acid,acrylic acid, 2-chloro,2-chloro-2-propenoic acid,.alpha.-chloroacrylic acid,acmc-1aqt3
Numéro MDL	MFCD00014336
CAS	598-79-8
CID PubChem	11735
ChEBI	CHEBI:73963
Nom IUPAC	2-chloroprop-2-enoic acid
Clé InChI	SZTBMYHIYNGYIA-UHFFFAOYSA-N
SMILES	OC(=O)C(Cl)=C
Formule moléculaire	C3H3ClO2

alpha-Fluorophenylacetic acid, 97%

CAS: 1578-63-8 Formule moléculaire: C8H7FO2 Poids moléculaire (g/mol): 154.14 Numéro MDL: MFCD00004221 Clé InChI: ATPPNMLQNZHDOG-UHFFFAOYSA-N Synonyme: alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i CID PubChem: 102649 Nom IUPAC: 2-fluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)F

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Poids moléculaire (g/mol)	154.14
Synonyme	alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i
Numéro MDL	MFCD00004221
CAS	1578-63-8
CID PubChem	102649
Nom IUPAC	2-fluoro-2-phenylacetic acid
Clé InChI	ATPPNMLQNZHDOG-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C(C(=O)O)F
Formule moléculaire	C8H7FO2

Lithium trifluoroacetate monohydrate, 97%

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Poids moléculaire (g/mol)	119.96
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
CAS	2923-17-3
CID PubChem	23661853
Nom IUPAC	lithium;2,2,2-trifluoroacetate
Clé InChI	HSFDLPWPRRSVSM-UHFFFAOYSA-M
SMILES	[Li+].[O-]C(=O)C(F)(F)F
Formule moléculaire	C2F3LiO2

Ethyl difluoroacetate, 98%

CAS: 454-31-9 Formule moléculaire: C4H6F2O2 Poids moléculaire (g/mol): 124.087 Numéro MDL: MFCD00013578 Clé InChI: GZKHDVAKKLTJPO-UHFFFAOYSA-N Synonyme: ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat CID PubChem: 9961 Nom IUPAC: ethyl 2,2-difluoroacetate SMILES: CCOC(=O)C(F)F

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Poids moléculaire (g/mol)	124.087
Synonyme	ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat
Numéro MDL	MFCD00013578
CAS	454-31-9
CID PubChem	9961
Nom IUPAC	ethyl 2,2-difluoroacetate
Clé InChI	GZKHDVAKKLTJPO-UHFFFAOYSA-N
SMILES	CCOC(=O)C(F)F
Formule moléculaire	C4H6F2O2

Allyl trifluoroacetate, 97%

CAS: 383-67-5 Formule moléculaire: C5H5F3O2 Poids moléculaire (g/mol): 154.088 Numéro MDL: MFCD00013567 Clé InChI: XIVPVSIDXBTZLM-UHFFFAOYSA-N Synonyme: allyl trifluoroacetate,allyl trifluoracetate,trifluoroacetic acid allyl ester,prop-2-en-1-yl 2,2,2-trifluoroacetate,allyltrifluoroacetate,pubchem12548,acmc-209izu,allyl alcohol, trifluoroacetate,acetic acid, trifluoro-, allyl ester CID PubChem: 67845 Nom IUPAC: prop-2-enyl 2,2,2-trifluoroacetate SMILES: C=CCOC(=O)C(F)(F)F

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Poids moléculaire (g/mol)	154.088
Synonyme	allyl trifluoroacetate,allyl trifluoracetate,trifluoroacetic acid allyl ester,prop-2-en-1-yl 2,2,2-trifluoroacetate,allyltrifluoroacetate,pubchem12548,acmc-209izu,allyl alcohol, trifluoroacetate,acetic acid, trifluoro-, allyl ester
Numéro MDL	MFCD00013567
CAS	383-67-5
CID PubChem	67845
Nom IUPAC	prop-2-enyl 2,2,2-trifluoroacetate
Clé InChI	XIVPVSIDXBTZLM-UHFFFAOYSA-N
SMILES	C=CCOC(=O)C(F)(F)F
Formule moléculaire	C5H5F3O2

Sodium chloroacetate, 98%

CAS: 3926-62-3 Formule moléculaire: C2H2ClNaO2 Poids moléculaire (g/mol): 116.476 Numéro MDL: MFCD00002684 Clé InChI: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonyme: sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech CID PubChem: 23665759 Nom IUPAC: sodium;2-chloroacetate SMILES: C(C(=O)[O-])Cl.[Na+]

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Poids moléculaire (g/mol)	116.476
Synonyme	sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech
Numéro MDL	MFCD00002684
CAS	3926-62-3
CID PubChem	23665759
Nom IUPAC	sodium;2-chloroacetate
Clé InChI	FDRCDNZGSXJAFP-UHFFFAOYSA-M
SMILES	C(C(=O)[O-])Cl.[Na+]
Formule moléculaire	C2H2ClNaO2

Alpha-halocarboxylic acids and derivatives

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