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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106 – 120 of 562 results

106

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Ethyl bromodifluoroacetate, 97%

CAS: 667-27-6 Molecular Formula: C4H5BrF2O2 Molecular Weight (g/mol): 202.983 MDL Number: MFCD00042069 InChI Key: IRSJDVYTJUCXRV-UHFFFAOYSA-N Synonym: 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 IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Br

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Specifications

PubChem CID	69585
CAS	667-27-6
Molecular Weight (g/mol)	202.983
MDL Number	MFCD00042069
SMILES	CCOC(=O)C(F)(F)Br
Synonym	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
IUPAC Name	ethyl 2-bromo-2,2-difluoroacetate
InChI Key	IRSJDVYTJUCXRV-UHFFFAOYSA-N
Molecular Formula	C4H5BrF2O2

107

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Ethyl dibromoacetate, 96%

CAS: 617-33-4 Molecular Formula: C4H6Br2O2 Molecular Weight (g/mol): 245.898 MDL Number: MFCD00041718 InChI Key: NIJGVVHCUXNSLL-UHFFFAOYSA-N Synonym: ethyl dibromoacetate,acetic acid, dibromo-, ethyl ester,dibromoacetic acid, ethyl ester,acetic acid, 2,2-dibromo-, ethyl ester,ethyldibromoacetate,ethyl dibromo acetate,acmc-20akxm,aceticacid,dibromo-,ethylester,dibromoacetic acid ethyl ester,dibromo-acetic acid ethyl ester PubChem CID: 69237 IUPAC Name: ethyl 2,2-dibromoacetate SMILES: CCOC(=O)C(Br)Br

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Specifications

PubChem CID	69237
CAS	617-33-4
Molecular Weight (g/mol)	245.898
MDL Number	MFCD00041718
SMILES	CCOC(=O)C(Br)Br
Synonym	ethyl dibromoacetate,acetic acid, dibromo-, ethyl ester,dibromoacetic acid, ethyl ester,acetic acid, 2,2-dibromo-, ethyl ester,ethyldibromoacetate,ethyl dibromo acetate,acmc-20akxm,aceticacid,dibromo-,ethylester,dibromoacetic acid ethyl ester,dibromo-acetic acid ethyl ester
IUPAC Name	ethyl 2,2-dibromoacetate
InChI Key	NIJGVVHCUXNSLL-UHFFFAOYSA-N
Molecular Formula	C4H6Br2O2

108

Chloroacetic acid sodium salt, 98%

CAS: 3926-62-3 Molecular Formula: C₂H₂ClNaO₂ Molecular Weight (g/mol): 116.48 MDL Number: MFCD00002684 InChI Key: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonym: 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 PubChem CID: 23665759 IUPAC Name: sodium;2-chloroacetate SMILES: C(C(=O)[O-])Cl.[Na+]

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Specifications

PubChem CID	23665759
CAS	3926-62-3
Molecular Weight (g/mol)	116.48
MDL Number	MFCD00002684
SMILES	C(C(=O)[O-])Cl.[Na+]
Synonym	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
IUPAC Name	sodium;2-chloroacetate
InChI Key	FDRCDNZGSXJAFP-UHFFFAOYSA-M
Molecular Formula	C₂H₂ClNaO₂

109

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Ethyl 2-chloro-2-(hydroxyimino)acetate, 97%

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-hydroxyiminoacetate 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-hydroxyiminoacetate
InChI Key	UXOLDCOJRAMLTQ-UTCJRWHESA-N
Molecular Formula	C4H6ClNO3

110

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Isopropyl bromoacetate, 97%

CAS: 29921-57-1 Molecular Formula: C₅H₉BrO₂ Molecular Weight (g/mol): 181.03 MDL Number: MFCD00009886 InChI Key: JCWLEWKPXYZHGQ-UHFFFAOYSA-N Synonym: isopropyl bromoacetate,acetic acid, bromo-, 1-methylethyl ester,acetic acid, 2-bromo-, 1-methylethyl ester,isopropyl 2-bromoacetate,brch2c o och ch3 2,bromoacetic acid isopropyl ester,i-propyl bromoacetate,acmc-1ciu8,isopropyl .alpha.-bromoacetate PubChem CID: 121593 IUPAC Name: propan-2-yl 2-bromoacetate SMILES: CC(C)OC(=O)CBr

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Specifications

PubChem CID	121593
CAS	29921-57-1
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00009886
SMILES	CC(C)OC(=O)CBr
Synonym	isopropyl bromoacetate,acetic acid, bromo-, 1-methylethyl ester,acetic acid, 2-bromo-, 1-methylethyl ester,isopropyl 2-bromoacetate,brch2c o och ch3 2,bromoacetic acid isopropyl ester,i-propyl bromoacetate,acmc-1ciu8,isopropyl .alpha.-bromoacetate
IUPAC Name	propan-2-yl 2-bromoacetate
InChI Key	JCWLEWKPXYZHGQ-UHFFFAOYSA-N
Molecular Formula	C₅H₉BrO₂

111

Chloroacetic acid, 99%

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.494 MDL Number: MFCD00002683 InChI Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonym: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure PubChem CID: 300 ChEBI: CHEBI:27869 IUPAC Name: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

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Specifications

PubChem CID	300
CAS	79-11-8
Molecular Weight (g/mol)	94.494
ChEBI	CHEBI:27869
MDL Number	MFCD00002683
SMILES	C(C(=O)O)Cl
Synonym	chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
IUPAC Name	2-chloroacetic acid
InChI Key	FOCAUTSVDIKZOP-UHFFFAOYSA-N
Molecular Formula	C2H3ClO2

112

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Ethyl trifluoroacetate, 99%

CAS: 383-63-1 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 MDL Number: MFCD00000419 InChI Key: STSCVKRWJPWALQ-UHFFFAOYSA-N Synonym: ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid PubChem CID: 9794 IUPAC Name: ethyl 2,2,2-trifluoroacetate SMILES: CCOC(=O)C(F)(F)F

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Specifications

PubChem CID	9794
CAS	383-63-1
Molecular Weight (g/mol)	142.077
MDL Number	MFCD00000419
SMILES	CCOC(=O)C(F)(F)F
Synonym	ethyl trifluoroacetate,trifluoroacetic acid ethyl ester,ethyltrifluoroacetate,acetic acid, trifluoro-, ethyl ester,trifluoroacetic acid, ethyl ester,ethyl trifluoroethanoate,unii-a6tzk6x11x,acetic acid, 2,2,2-trifluoro-, ethyl ester,a6tzk6x11x,ethyl ester of trifluoroacetic acid
IUPAC Name	ethyl 2,2,2-trifluoroacetate
InChI Key	STSCVKRWJPWALQ-UHFFFAOYSA-N
Molecular Formula	C4H5F3O2

113

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Ethyl alpha-bromophenylacetate, 97%

CAS: 2882-19-1 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD00013536 InChI Key: BKTKLDMYHTUESO-UHFFFAOYNA-N Synonym: 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 PubChem CID: 97780 IUPAC Name: ethyl 2-bromo-2-phenylacetate SMILES: CCOC(=O)C(Br)C1=CC=CC=C1

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Specifications

PubChem CID	97780
CAS	2882-19-1
Molecular Weight (g/mol)	243.10
MDL Number	MFCD00013536
SMILES	CCOC(=O)C(Br)C1=CC=CC=C1
Synonym	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
IUPAC Name	ethyl 2-bromo-2-phenylacetate
InChI Key	BKTKLDMYHTUESO-UHFFFAOYNA-N
Molecular Formula	C10H11BrO2

114

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Diisopropylamine dichloroacetate, 95%, Thermo Scientific Chemicals

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;N-propan-2-ylpropan-2-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;N-propan-2-ylpropan-2-amine
InChI Key	ILKBHIBYKSHTKQ-UHFFFAOYSA-N
Molecular Formula	C8H17Cl2NO2

115

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Allyl chloroacetate, 98%

CAS: 2916-14-5 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.559 MDL Number: MFCD00058936 InChI Key: VMBJJCDVORDOCF-UHFFFAOYSA-N Synonym: 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 IUPAC Name: prop-2-enyl 2-chloroacetate SMILES: C=CCOC(=O)CCl

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Specifications

PubChem CID	76206
CAS	2916-14-5
Molecular Weight (g/mol)	134.559
MDL Number	MFCD00058936
SMILES	C=CCOC(=O)CCl
Synonym	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
IUPAC Name	prop-2-enyl 2-chloroacetate
InChI Key	VMBJJCDVORDOCF-UHFFFAOYSA-N
Molecular Formula	C5H7ClO2

116

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tert-Butyl 2-bromoisobutyrate, 97%

CAS: 23877-12-5 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00051908 InChI Key: IGVNJALYNQVQIT-UHFFFAOYSA-N PubChem CID: 90290 IUPAC Name: tert-butyl 2-bromo-2-methylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)Br

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Specifications

PubChem CID	90290
CAS	23877-12-5
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00051908
SMILES	CC(C)(C)OC(=O)C(C)(C)Br
IUPAC Name	tert-butyl 2-bromo-2-methylpropanoate
InChI Key	IGVNJALYNQVQIT-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

117

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Ethyl dibromofluoroacetate, 97%

CAS: 565-53-7 Molecular Formula: C4H5Br2FO2 Molecular Weight (g/mol): 263.89 MDL Number: MFCD00042068 InChI Key: COYRDMUQLSIAEX-UHFFFAOYSA-N Synonym: ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate PubChem CID: 2737168 IUPAC Name: ethyl 2,2-dibromo-2-fluoroacetate SMILES: CCOC(=O)C(F)(Br)Br

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Specifications

PubChem CID	2737168
CAS	565-53-7
Molecular Weight (g/mol)	263.89
MDL Number	MFCD00042068
SMILES	CCOC(=O)C(F)(Br)Br
Synonym	ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate
IUPAC Name	ethyl 2,2-dibromo-2-fluoroacetate
InChI Key	COYRDMUQLSIAEX-UHFFFAOYSA-N
Molecular Formula	C4H5Br2FO2

118

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Ethyl hexafluoroglutaryl chloride, 97%, Thermo Scientific Chemicals

CAS: 18381-53-8 Molecular Formula: C7H5ClF6O3 Molecular Weight (g/mol): 286.55 MDL Number: MFCD00054671 InChI Key: OLRXGDHRDQKNGW-UHFFFAOYSA-N PubChem CID: 161251 IUPAC Name: 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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Specifications

PubChem CID	161251
CAS	18381-53-8
Molecular Weight (g/mol)	286.55
MDL Number	MFCD00054671
SMILES	CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O
IUPAC Name	ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
InChI Key	OLRXGDHRDQKNGW-UHFFFAOYSA-N
Molecular Formula	C7H5ClF6O3

119

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(S)-(-)-2-Chloropropionic acid, 98%

CAS: 29617-66-1 Molecular Formula: C3H4ClO2 Molecular Weight (g/mol): 107.51 MDL Number: MFCD00064205 InChI Key: GAWAYYRQGQZKCR-REOHCLBHSA-M Synonym: s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid PubChem CID: 107915 ChEBI: CHEBI:73956 IUPAC Name: (2S)-2-chloropropanoic acid SMILES: C[C@H](Cl)C([O-])=O

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PubChem CID	107915
CAS	29617-66-1
Molecular Weight (g/mol)	107.51
ChEBI	CHEBI:73956
MDL Number	MFCD00064205
SMILES	C[C@H](Cl)C([O-])=O
Synonym	s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid
IUPAC Name	(2S)-2-chloropropanoic acid
InChI Key	GAWAYYRQGQZKCR-REOHCLBHSA-M
Molecular Formula	C3H4ClO2

120

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Diethyl chloromalonate, 90%

CAS: 14064-10-9 Molecular Formula: C₇H₁₁ClO₄ Molecular Weight (g/mol): 194.61 InChI Key: WLWCQKMQYZFTDR-UHFFFAOYSA-N Synonym: diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester PubChem CID: 84182 IUPAC Name: diethyl 2-chloropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Cl

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Specifications

PubChem CID	84182
CAS	14064-10-9
Molecular Weight (g/mol)	194.61
SMILES	CCOC(=O)C(C(=O)OCC)Cl
Synonym	diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester
IUPAC Name	diethyl 2-chloropropanedioate
InChI Key	WLWCQKMQYZFTDR-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁ClO₄

Alpha-halocarboxylic acids and derivatives

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