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 of 205 results

alpha-Fluorophenylacetic acid, 97%

CAS: 1578-63-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004221 InChI Key: ATPPNMLQNZHDOG-UHFFFAOYSA-N Synonym: 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 PubChem CID: 102649 IUPAC Name: 2-fluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)F

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Specifications

PubChem CID	102649
CAS	1578-63-8
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00004221
SMILES	C1=CC=C(C=C1)C(C(=O)O)F
Synonym	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
IUPAC Name	2-fluoro-2-phenylacetic acid
InChI Key	ATPPNMLQNZHDOG-UHFFFAOYSA-N
Molecular Formula	C8H7FO2

2-Bromoacrylic acid, 95%

CAS: 10443-65-9 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.96 MDL Number: MFCD00014333 InChI Key: HMENQNSSJFLQOP-UHFFFAOYSA-N Synonym: 2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo PubChem CID: 82633 IUPAC Name: 2-bromoprop-2-enoic acid SMILES: OC(=O)C(Br)=C

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Specifications

PubChem CID	82633
CAS	10443-65-9
Molecular Weight (g/mol)	150.96
MDL Number	MFCD00014333
SMILES	OC(=O)C(Br)=C
Synonym	2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo
IUPAC Name	2-bromoprop-2-enoic acid
InChI Key	HMENQNSSJFLQOP-UHFFFAOYSA-N
Molecular Formula	C3H3BrO2

Sodium chlorodifluoroacetate, 97%

CAS: 1895-39-2 Molecular Formula: C2ClF2NaO2 Molecular Weight (g/mol): 152.457 MDL Number: MFCD00064771 InChI Key: MRTAVLDNYYEJHK-UHFFFAOYSA-M Synonym: sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium PubChem CID: 2734985 IUPAC Name: sodium;2-chloro-2,2-difluoroacetate SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]

Pricing and Availability
Specifications

PubChem CID	2734985
CAS	1895-39-2
Molecular Weight (g/mol)	152.457
MDL Number	MFCD00064771
SMILES	C(=O)(C(F)(F)Cl)[O-].[Na+]
Synonym	sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium
IUPAC Name	sodium;2-chloro-2,2-difluoroacetate
InChI Key	MRTAVLDNYYEJHK-UHFFFAOYSA-M
Molecular Formula	C2ClF2NaO2

Isopropyl chloroacetate, 99%

CAS: 105-48-6 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.58 MDL Number: MFCD00040410 InChI Key: VODRWDBLLGYRJT-UHFFFAOYSA-N Synonym: 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 PubChem CID: 7759 IUPAC Name: propan-2-yl 2-chloroacetate SMILES: CC(C)OC(=O)CCl

Pricing and Availability
Specifications

PubChem CID	7759
CAS	105-48-6
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00040410
SMILES	CC(C)OC(=O)CCl
Synonym	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
IUPAC Name	propan-2-yl 2-chloroacetate
InChI Key	VODRWDBLLGYRJT-UHFFFAOYSA-N
Molecular Formula	C5H9ClO2

Potassium trifluoroacetate, 98%

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 SMILES: [K+].[O-]C(=O)C(F)(F)F

Pricing and Availability
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
InChI Key	CUNPJFGIODEJLQ-UHFFFAOYSA-M
Molecular Formula	C2F3KO2

Lithium trifluoroacetate, 97%

CAS: 2923-17-3 Molecular Formula: C2F3LiO2 Molecular Weight (g/mol): 119.96 MDL Number: MFCD00013216,MFCD00149663 InChI Key: HSFDLPWPRRSVSM-UHFFFAOYSA-M Synonym: 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 IUPAC Name: lithium;2,2,2-trifluoroacetate SMILES: [Li+].[O-]C(=O)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	23661853
CAS	2923-17-3
Molecular Weight (g/mol)	119.96
MDL Number	MFCD00013216,MFCD00149663
SMILES	[Li+].[O-]C(=O)C(F)(F)F
Synonym	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
IUPAC Name	lithium;2,2,2-trifluoroacetate
InChI Key	HSFDLPWPRRSVSM-UHFFFAOYSA-M
Molecular Formula	C2F3LiO2

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

Pricing and Availability
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

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

Pricing and Availability
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

Diethyl difluoromalonate, 97%

CAS: 680-65-9 Molecular Formula: C7H10F2O4 Molecular Weight (g/mol): 196.15 MDL Number: MFCD00221617 InChI Key: WCRVWLHTROHXBB-UHFFFAOYSA-N Synonym: diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev PubChem CID: 260648 IUPAC Name: diethyl 2,2-difluoropropanedioate SMILES: CCOC(=O)C(F)(F)C(=O)OCC

Pricing and Availability
Specifications

PubChem CID	260648
CAS	680-65-9
Molecular Weight (g/mol)	196.15
MDL Number	MFCD00221617
SMILES	CCOC(=O)C(F)(F)C(=O)OCC
Synonym	diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev
IUPAC Name	diethyl 2,2-difluoropropanedioate
InChI Key	WCRVWLHTROHXBB-UHFFFAOYSA-N
Molecular Formula	C7H10F2O4

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

Pricing and Availability
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

Difluoroacetic acid, 98%

CAS: 381-73-7 Molecular Formula: C₂H₂F₂O₂ Molecular Weight (g/mol): 96.03 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

Pricing and Availability
Specifications

PubChem CID	9788
CAS	381-73-7
Molecular Weight (g/mol)	96.03
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

(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

Pricing and Availability
Specifications

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

Iodoacetic acid, 97+%

CAS: 64-69-7 Molecular Formula: C2H3IO2 Molecular Weight (g/mol): 185.948 MDL Number: MFCD00002685 InChI Key: JDNTWHVOXJZDSN-UHFFFAOYSA-N Synonym: iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova PubChem CID: 5240 ChEBI: CHEBI:74571 IUPAC Name: 2-iodoacetic acid SMILES: C(C(=O)O)I

Pricing and Availability
Specifications

PubChem CID	5240
CAS	64-69-7
Molecular Weight (g/mol)	185.948
ChEBI	CHEBI:74571
MDL Number	MFCD00002685
SMILES	C(C(=O)O)I
Synonym	iodoacetic acid,acetic acid, iodo,iodoacetate,monoiodoacetic acid,monoiodoacetate,monoiodine acetate,iodoaceticacid,iodoethanoic acid,acetic acid, 2-iodo,kyselina jodoctova
IUPAC Name	2-iodoacetic acid
InChI Key	JDNTWHVOXJZDSN-UHFFFAOYSA-N
Molecular Formula	C2H3IO2

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

Pricing and Availability
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

Ethyl oxalyl chloride, 98%

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

Pricing and Availability
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

Alpha-halocarboxylic acids and derivatives

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