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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151 – 165 of 572 results

151

(R)-(+)-2-Chloropropionic Acid 98.0+%, TCI America™

CAS: 7474-05-7 Molecular Formula: C3H4ClO2 Molecular Weight (g/mol): 107.51 MDL Number: MFCD00064204 InChI Key: GAWAYYRQGQZKCR-UWTATZPHSA-M Synonym: r-+-2-chloropropionic acid,r-2-chloropropanoic acid,r-2-chloropropionic acid,r-2-chloro-propionic acid,r +-2-chloropropionic acid,unii-f60st8319r,2-chloropropionic acid, +,propanoic acid, 2-chloro-, 2r,d-2-chloropropionic acid,+-2-chloropropanoic acid PubChem CID: 2724540 IUPAC Name: (2R)-2-chloropropanoic acid SMILES: CC(C(=O)O)Cl

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Specifications

PubChem CID	2724540
CAS	7474-05-7
Molecular Weight (g/mol)	107.51
MDL Number	MFCD00064204
SMILES	CC(C(=O)O)Cl
Synonym	r-+-2-chloropropionic acid,r-2-chloropropanoic acid,r-2-chloropropionic acid,r-2-chloro-propionic acid,r +-2-chloropropionic acid,unii-f60st8319r,2-chloropropionic acid, +,propanoic acid, 2-chloro-, 2r,d-2-chloropropionic acid,+-2-chloropropanoic acid
IUPAC Name	(2R)-2-chloropropanoic acid
InChI Key	GAWAYYRQGQZKCR-UWTATZPHSA-M
Molecular Formula	C3H4ClO2

152

Butyl Fluoroacetate 97.0+%, TCI America™

CAS: 371-49-3 Molecular Formula: C6H11FO2 Molecular Weight (g/mol): 134.15 MDL Number: MFCD00042194 InChI Key: FZXXGBGMLALCIH-UHFFFAOYSA-N Synonym: Fluoroacetic Acid Butyl Ester PubChem CID: 67790 IUPAC Name: butyl 2-fluoroacetate SMILES: CCCCOC(=O)CF

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Specifications

PubChem CID	67790
CAS	371-49-3
Molecular Weight (g/mol)	134.15
MDL Number	MFCD00042194
SMILES	CCCCOC(=O)CF
Synonym	Fluoroacetic Acid Butyl Ester
IUPAC Name	butyl 2-fluoroacetate
InChI Key	FZXXGBGMLALCIH-UHFFFAOYSA-N
Molecular Formula	C6H11FO2

153

Ethyl 2-Iodopropionate 97.0+%, TCI America™

CAS: 31253-08-4 Molecular Formula: C5H9IO2 Molecular Weight (g/mol): 228.029 MDL Number: MFCD02258628 InChI Key: AVMMXNKUHBWIMU-UHFFFAOYSA-N Synonym: 2-Iodopropionic Acid Ethyl Ester PubChem CID: 10922254 IUPAC Name: ethyl 2-iodopropanoate SMILES: CCOC(=O)C(C)I

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Specifications

PubChem CID	10922254
CAS	31253-08-4
Molecular Weight (g/mol)	228.029
MDL Number	MFCD02258628
SMILES	CCOC(=O)C(C)I
Synonym	2-Iodopropionic Acid Ethyl Ester
IUPAC Name	ethyl 2-iodopropanoate
InChI Key	AVMMXNKUHBWIMU-UHFFFAOYSA-N
Molecular Formula	C5H9IO2

154

tert-Butyl Chloroacetate 97.0+%, TCI America™

CAS: 107-59-5 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.602 MDL Number: MFCD00000930 InChI Key: KUYMVWXKHQSIAS-UHFFFAOYSA-N Synonym: tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate PubChem CID: 66052 IUPAC Name: tert-butyl 2-chloroacetate SMILES: CC(C)(C)OC(=O)CCl

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Specifications

PubChem CID	66052
CAS	107-59-5
Molecular Weight (g/mol)	150.602
MDL Number	MFCD00000930
SMILES	CC(C)(C)OC(=O)CCl
Synonym	tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate
IUPAC Name	tert-butyl 2-chloroacetate
InChI Key	KUYMVWXKHQSIAS-UHFFFAOYSA-N
Molecular Formula	C6H11ClO2

155

Ethyl Chloroglyoxylate 98.0+%, TCI America™

CAS: 4755-77-5 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 MDL Number: MFCD00000706 InChI Key: OWZFULPEVHKEKS-UHFFFAOYSA-N Synonym: 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 PubChem CID: 20884 IUPAC Name: ethyl 2-chloro-2-oxoacetate SMILES: CCOC(=O)C(=O)Cl

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Specifications

PubChem CID	20884
CAS	4755-77-5
Molecular Weight (g/mol)	136.531
MDL Number	MFCD00000706
SMILES	CCOC(=O)C(=O)Cl
Synonym	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
IUPAC Name	ethyl 2-chloro-2-oxoacetate
InChI Key	OWZFULPEVHKEKS-UHFFFAOYSA-N
Molecular Formula	C4H5ClO3

156

Ethyl Bromofluoroacetate 98.0+%, TCI America™

CAS: 401-55-8 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.992 MDL Number: MFCD00042095 InChI Key: ULNDTPIRBQGESN-UHFFFAOYSA-N Synonym: ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t PubChem CID: 2733407 IUPAC Name: ethyl 2-bromo-2-fluoroacetate SMILES: CCOC(=O)C(F)Br

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Specifications

PubChem CID	2733407
CAS	401-55-8
Molecular Weight (g/mol)	184.992
MDL Number	MFCD00042095
SMILES	CCOC(=O)C(F)Br
Synonym	ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t
IUPAC Name	ethyl 2-bromo-2-fluoroacetate
InChI Key	ULNDTPIRBQGESN-UHFFFAOYSA-N
Molecular Formula	C4H6BrFO2

157

Ethyl 2-Chloro-2-(hydroxyimino)acetate 99.0+%, TCI America™

CAS: 14337-43-0 Molecular Formula: C4H6ClNO3 Molecular Weight (g/mol): 151.55 MDL Number: MFCD00010209 InChI Key: UXOLDCOJRAMLTQ-UTCJRWHESA-N Synonym: ethyl 2-chloro-2-hydroxyimino acetate,2-chloro-2-hydroxyiminoacetic acid ethyl ester,ethyl chlorooximinoacetate,ethyl chloro oximido acetate,ethyl chlorooximidoacetate,z-ethyl 2-chloro-2-hydroxyimino acetate,chloro oxime,ethyl 2z-2-chloro-2-hydroxyimino acetate,e-ethyl 2-chloro-2-hydroxyimino acetate,ethyl 2z-chloro hydroxyimino ethanoate PubChem CID: 9576005 IUPAC Name: ethyl (2Z)-2-chloro-2-(hydroxyimino)acetate SMILES: CCOC(=O)C(\Cl)=N\O

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Specifications

PubChem CID	9576005
CAS	14337-43-0
Molecular Weight (g/mol)	151.55
MDL Number	MFCD00010209
SMILES	CCOC(=O)C(\Cl)=N\O
Synonym	ethyl 2-chloro-2-hydroxyimino acetate,2-chloro-2-hydroxyiminoacetic acid ethyl ester,ethyl chlorooximinoacetate,ethyl chloro oximido acetate,ethyl chlorooximidoacetate,z-ethyl 2-chloro-2-hydroxyimino acetate,chloro oxime,ethyl 2z-2-chloro-2-hydroxyimino acetate,e-ethyl 2-chloro-2-hydroxyimino acetate,ethyl 2z-chloro hydroxyimino ethanoate
IUPAC Name	ethyl (2Z)-2-chloro-2-(hydroxyimino)acetate
InChI Key	UXOLDCOJRAMLTQ-UTCJRWHESA-N
Molecular Formula	C4H6ClNO3

158

Diisopropylamine Dichloroacetate 98.0+%, TCI America™

CAS: 660-27-5 Molecular Formula: C8H17Cl2NO2 Molecular Weight (g/mol): 230.13 MDL Number: MFCD00868288 InChI Key: ILKBHIBYKSHTKQ-UHFFFAOYSA-N Synonym: diisopropylamine dichloroacetate,diisopropylammonium dichloroacetate,diisopropylamine 2,2-dichloroacetate,vasculopatina,dipromonium,cubisol,dapocel,disotat,kalodil,oxypangam PubChem CID: 12617 IUPAC Name: 2,2-dichloroacetic acid; bis(propan-2-yl)amine SMILES: OC(=O)C(Cl)Cl.CC(C)NC(C)C

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Specifications

PubChem CID	12617
CAS	660-27-5
Molecular Weight (g/mol)	230.13
MDL Number	MFCD00868288
SMILES	OC(=O)C(Cl)Cl.CC(C)NC(C)C
Synonym	diisopropylamine dichloroacetate,diisopropylammonium dichloroacetate,diisopropylamine 2,2-dichloroacetate,vasculopatina,dipromonium,cubisol,dapocel,disotat,kalodil,oxypangam
IUPAC Name	2,2-dichloroacetic acid; bis(propan-2-yl)amine
InChI Key	ILKBHIBYKSHTKQ-UHFFFAOYSA-N
Molecular Formula	C8H17Cl2NO2

159

Isopropyl Trifluoroacetate 98.0+%, TCI America™

CAS: 400-38-4 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00013566 InChI Key: ASAXRKSDVDALDT-UHFFFAOYSA-N Synonym: isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate PubChem CID: 78998 IUPAC Name: propan-2-yl 2,2,2-trifluoroacetate SMILES: CC(C)OC(=O)C(F)(F)F

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Specifications

PubChem CID	78998
CAS	400-38-4
Molecular Weight (g/mol)	156.10
MDL Number	MFCD00013566
SMILES	CC(C)OC(=O)C(F)(F)F
Synonym	isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate
IUPAC Name	propan-2-yl 2,2,2-trifluoroacetate
InChI Key	ASAXRKSDVDALDT-UHFFFAOYSA-N
Molecular Formula	C5H7F3O2

160

Dimethyl Octafluoroadipate 97.0+%, TCI America™

CAS: 3107-98-0 Molecular Formula: C8H6F8O4 Molecular Weight (g/mol): 318.119 MDL Number: MFCD00042267 InChI Key: XPXVIIILXUOEQA-UHFFFAOYSA-N Synonym: dimethyl octafluoroadipate,dimethyl perfluoroadipate,hexanedioic acid, octafluoro-, dimethyl ester,1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate,dimethyloctafluoroadipate,acmc-1cson,dimethyl octafluoroadipinate,dimethyl octafluorohexanedioate,perfluoroadipic acid dimethyl ester,octafluoroadipic acid dimethyl ester PubChem CID: 2737117 IUPAC Name: dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate SMILES: COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F

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Specifications

PubChem CID	2737117
CAS	3107-98-0
Molecular Weight (g/mol)	318.119
MDL Number	MFCD00042267
SMILES	COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F
Synonym	dimethyl octafluoroadipate,dimethyl perfluoroadipate,hexanedioic acid, octafluoro-, dimethyl ester,1,6-dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate,dimethyloctafluoroadipate,acmc-1cson,dimethyl octafluoroadipinate,dimethyl octafluorohexanedioate,perfluoroadipic acid dimethyl ester,octafluoroadipic acid dimethyl ester
IUPAC Name	dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate
InChI Key	XPXVIIILXUOEQA-UHFFFAOYSA-N
Molecular Formula	C8H6F8O4

161

Ethyl 2-Bromobutyrate 98.0+%, TCI America™

CAS: 533-68-6 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000155 InChI Key: XIMFCGSNSKXPBO-UHFFFAOYNA-N Synonym: ethyl 2-bromobutyrate,dl-ethyl 2-bromobutyrate,2-bromobutanoic acid ethyl ester,butanoic acid, 2-bromo-, ethyl ester,2-bromobutyric acid ethyl ester,ethyl .alpha.-bromobutyrate,2-bromo-butyric acid ethyl ester,butyric acid, 2-bromo-, ethyl ester,2-bromo-butanoicaciethylester,ethyl alpha-bromobutyrate PubChem CID: 79039 IUPAC Name: ethyl 2-bromobutanoate SMILES: CCOC(=O)C(Br)CC

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Specifications

PubChem CID	79039
CAS	533-68-6
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000155
SMILES	CCOC(=O)C(Br)CC
Synonym	ethyl 2-bromobutyrate,dl-ethyl 2-bromobutyrate,2-bromobutanoic acid ethyl ester,butanoic acid, 2-bromo-, ethyl ester,2-bromobutyric acid ethyl ester,ethyl .alpha.-bromobutyrate,2-bromo-butyric acid ethyl ester,butyric acid, 2-bromo-, ethyl ester,2-bromo-butanoicaciethylester,ethyl alpha-bromobutyrate
IUPAC Name	ethyl 2-bromobutanoate
InChI Key	XIMFCGSNSKXPBO-UHFFFAOYNA-N
Molecular Formula	C6H11BrO2

162

Difluoroacetic Acid 97.0+%, TCI America™

CAS: 381-73-7 Molecular Formula: C2H2F2O2 Molecular Weight (g/mol): 96.033 MDL Number: MFCD00004220 InChI Key: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid PubChem CID: 9788 ChEBI: CHEBI:23716 IUPAC Name: 2,2-difluoroacetic acid SMILES: C(C(=O)O)(F)F

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Specifications

PubChem CID	9788
CAS	381-73-7
Molecular Weight (g/mol)	96.033
ChEBI	CHEBI:23716
MDL Number	MFCD00004220
SMILES	C(C(=O)O)(F)F
Synonym	difluoroacetic acid,acetic acid, difluoro,difluoressigsaeure,1,1-difluoroacetic acid,unii-zqk1c95k3n,zqk1c95k3n,acetic acid, 2,2-difluoro,difluoroaceticacid,difluoracetic acid,difluoro-acetic acid
IUPAC Name	2,2-difluoroacetic acid
InChI Key	PBWZKZYHONABLN-UHFFFAOYSA-N
Molecular Formula	C2H2F2O2

163

Potassium Trifluoroacetate 98.0+%, TCI America™

CAS: 2923-16-2 Molecular Formula: C2F3KO2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00013215 InChI Key: CUNPJFGIODEJLQ-UHFFFAOYSA-M Synonym: 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 PubChem CID: 23662811 IUPAC Name: potassium trifluoroacetate SMILES: [K+].[O-]C(=O)C(F)(F)F

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Specifications

PubChem CID	23662811
CAS	2923-16-2
Molecular Weight (g/mol)	152.11
MDL Number	MFCD00013215
SMILES	[K+].[O-]C(=O)C(F)(F)F
Synonym	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
IUPAC Name	potassium trifluoroacetate
InChI Key	CUNPJFGIODEJLQ-UHFFFAOYSA-M
Molecular Formula	C2F3KO2

164

Sodium 2,2-Dichloropropionate 85.0+%, TCI America™

CAS: 127-20-8 Molecular Formula: C3H3Cl2NaO2 Molecular Weight (g/mol): 164.945 MDL Number: MFCD00064199 InChI Key: PDEFQWNXOUGDJR-UHFFFAOYSA-M Synonym: 2,2-Dichloropropionic Acid Sodium Salt PubChem CID: 517058 IUPAC Name: sodium;2,2-dichloropropanoate SMILES: CC(C(=O)[O-])(Cl)Cl.[Na+]

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Specifications

PubChem CID	517058
CAS	127-20-8
Molecular Weight (g/mol)	164.945
MDL Number	MFCD00064199
SMILES	CC(C(=O)[O-])(Cl)Cl.[Na+]
Synonym	2,2-Dichloropropionic Acid Sodium Salt
IUPAC Name	sodium;2,2-dichloropropanoate
InChI Key	PDEFQWNXOUGDJR-UHFFFAOYSA-M
Molecular Formula	C3H3Cl2NaO2

165

Methyl alpha-Bromophenylacetate 98.0+%, TCI America™

CAS: 3042-81-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013535 InChI Key: NHFBYYMNJUMVOT-UHFFFAOYSA-N Synonym: methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate PubChem CID: 137806 IUPAC Name: methyl 2-bromo-2-phenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)Br

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Specifications

PubChem CID	137806
CAS	3042-81-7
Molecular Weight (g/mol)	229.073
MDL Number	MFCD00013535
SMILES	COC(=O)C(C1=CC=CC=C1)Br
Synonym	methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate
IUPAC Name	methyl 2-bromo-2-phenylacetate
InChI Key	NHFBYYMNJUMVOT-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

Alpha-halocarboxylic acids and derivatives

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