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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Bromoacetic acid, 98+%

CAS: 79-08-3 Molecular Formula: C₂H₃BrO₂ Molecular Weight (g/mol): 138.95 MDL Number: MFCD00002678 InChI Key: KDPAWGWELVVRCH-UHFFFAOYSA-N Synonym: bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo PubChem CID: 6227 IUPAC Name: 2-bromoacetic acid SMILES: C(C(=O)O)Br

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PubChem CID	6227
CAS	79-08-3
Molecular Weight (g/mol)	138.95
MDL Number	MFCD00002678
SMILES	C(C(=O)O)Br
Synonym	bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo
IUPAC Name	2-bromoacetic acid
InChI Key	KDPAWGWELVVRCH-UHFFFAOYSA-N
Molecular Formula	C₂H₃BrO₂

Sodium trifluoroacetate, 98%

CAS: 2923-18-4 Molecular Formula: C2F3NaO2 Molecular Weight (g/mol): 136.01 MDL Number: MFCD00013217 InChI Key: UYCAUPASBSROMS-UHFFFAOYSA-M Synonym: sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt PubChem CID: 517019 SMILES: [Na+].[O-]C(=O)C(F)(F)F

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PubChem CID	517019
CAS	2923-18-4
Molecular Weight (g/mol)	136.01
MDL Number	MFCD00013217
SMILES	[Na+].[O-]C(=O)C(F)(F)F
Synonym	sodium trifluoroacetate,trifluoroacetic acid sodium salt,acetic acid, trifluoro-, sodium salt,sodium perfluoroacetate,trifluoroacetate sodium,sodium 2,2,2-trifluoroacetate,trifluoroacetic acid sodium,trifluoroacetic acid,sodium salt,acetic acid, 2,2,2-trifluoro-, sodium salt 1:1,trifluoroacetic acid, sodium salt
InChI Key	UYCAUPASBSROMS-UHFFFAOYSA-M
Molecular Formula	C2F3NaO2

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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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 bromoacetate, 98%

CAS: 105-36-2 MDL Number: MFCD00000191 InChI Key: PQJJJMRNHATNKG-UHFFFAOYSA-N Synonym: ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate PubChem CID: 7748 IUPAC Name: ethyl 2-bromoacetate SMILES: CCOC(=O)CBr

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PubChem CID	7748
CAS	105-36-2
MDL Number	MFCD00000191
SMILES	CCOC(=O)CBr
Synonym	ethyl bromoacetate,antol,ethyl bromacetate,bromoacetic acid ethyl ester,ethyl monobromoacetate,acetic acid, bromo-, ethyl ester,ethoxycarbonylmethyl bromide,bromoacetic acid, ethyl ester,ethyl alpha-bromoacetate,ethyl bromo acetate
IUPAC Name	ethyl 2-bromoacetate
InChI Key	PQJJJMRNHATNKG-UHFFFAOYSA-N

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

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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

2-Bromopropionic Acid 98.0+%, TCI America™

CAS: 598-72-1 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.98 MDL Number: MFCD00004211,MFCD00145205 InChI Key: MONMFXREYOKQTI-UHFFFAOYNA-N Synonym: 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 PubChem CID: 11729 IUPAC Name: 2-bromopropanoic acid SMILES: CC(Br)C(O)=O

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PubChem CID	11729
CAS	598-72-1
Molecular Weight (g/mol)	152.98
MDL Number	MFCD00004211,MFCD00145205
SMILES	CC(Br)C(O)=O
Synonym	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
IUPAC Name	2-bromopropanoic acid
InChI Key	MONMFXREYOKQTI-UHFFFAOYNA-N
Molecular Formula	C3H5BrO2

Ethyl difluoroacetate, 98%

CAS: 454-31-9 Molecular Formula: C4H6F2O2 Molecular Weight (g/mol): 124.087 MDL Number: MFCD00013578 InChI Key: GZKHDVAKKLTJPO-UHFFFAOYSA-N Synonym: 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 PubChem CID: 9961 IUPAC Name: ethyl 2,2-difluoroacetate SMILES: CCOC(=O)C(F)F

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PubChem CID	9961
CAS	454-31-9
Molecular Weight (g/mol)	124.087
MDL Number	MFCD00013578
SMILES	CCOC(=O)C(F)F
Synonym	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
IUPAC Name	ethyl 2,2-difluoroacetate
InChI Key	GZKHDVAKKLTJPO-UHFFFAOYSA-N
Molecular Formula	C4H6F2O2

4-Acetyl-2-Fluorobiphenyl, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

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

CAS: 598-79-8 Molecular Formula: C3H3ClO2 Molecular Weight (g/mol): 106.51 MDL Number: MFCD00014336 InChI Key: SZTBMYHIYNGYIA-UHFFFAOYSA-N Synonym: 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 PubChem CID: 11735 ChEBI: CHEBI:73963 IUPAC Name: 2-chloroprop-2-enoic acid SMILES: OC(=O)C(Cl)=C

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Specifications

PubChem CID	11735
CAS	598-79-8
Molecular Weight (g/mol)	106.51
ChEBI	CHEBI:73963
MDL Number	MFCD00014336
SMILES	OC(=O)C(Cl)=C
Synonym	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
IUPAC Name	2-chloroprop-2-enoic acid
InChI Key	SZTBMYHIYNGYIA-UHFFFAOYSA-N
Molecular Formula	C3H3ClO2

Zinc trifluoroacetate hydrate

CAS: 207801-31-8 Molecular Formula: C4F6O4Zn Molecular Weight (g/mol): 291.41 MDL Number: MFCD00061595 InChI Key: VCQWRGCXUWPSGY-UHFFFAOYSA-L Synonym: zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate PubChem CID: 57375648 IUPAC Name: zinc;2,2,2-trifluoroacetate;hydrate SMILES: [Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

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PubChem CID	57375648
CAS	207801-31-8
Molecular Weight (g/mol)	291.41
MDL Number	MFCD00061595
SMILES	[Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Synonym	zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate
IUPAC Name	zinc;2,2,2-trifluoroacetate;hydrate
InChI Key	VCQWRGCXUWPSGY-UHFFFAOYSA-L
Molecular Formula	C4F6O4Zn

n-Propyl bromoacetate, 97%

CAS: 35223-80-4 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00075247 InChI Key: ISYUCUGTDNJIHV-UHFFFAOYSA-N Synonym: propyl bromoacetate,n-propyl bromoacetate,acetic acid, bromo-, propyl ester,acmc-1ajeq,bromoacetic acid propyl ester,bromo-acetic acid propyl ester,acetic acid, 2-bromo-,propyl ester PubChem CID: 141981 IUPAC Name: propyl 2-bromoacetate SMILES: CCCOC(=O)CBr

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Specifications

PubChem CID	141981
CAS	35223-80-4
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00075247
SMILES	CCCOC(=O)CBr
Synonym	propyl bromoacetate,n-propyl bromoacetate,acetic acid, bromo-, propyl ester,acmc-1ajeq,bromoacetic acid propyl ester,bromo-acetic acid propyl ester,acetic acid, 2-bromo-,propyl ester
IUPAC Name	propyl 2-bromoacetate
InChI Key	ISYUCUGTDNJIHV-UHFFFAOYSA-N
Molecular Formula	C5H9BrO2

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

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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 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

tert-Butyl 2-bromobutyrate, 98%

CAS: 24457-21-4 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00209634 InChI Key: RIUJWUWLGXBICR-UHFFFAOYSA-N Synonym: tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate PubChem CID: 13124118 IUPAC Name: tert-butyl 2-bromobutanoate SMILES: CCC(C(=O)OC(C)(C)C)Br

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PubChem CID	13124118
CAS	24457-21-4
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00209634
SMILES	CCC(C(=O)OC(C)(C)C)Br
Synonym	tert-butyl 2-bromobutyrate,tert-butyl2-bromobutanoate,t-butyl 2-bromobutyrate,2-bromobutyric acid tert-butyl ester,2-bromobutanoic acid tert-butyl ester,butanoic acid, 2-bromo-, 1,1-dimethylethyl ester,tertbutyl 2-bromobutyrate,tert-butyl-2-bromobutyrat,acmc-1cb0d,tert-butyl-2-bromobutyrate
IUPAC Name	tert-butyl 2-bromobutanoate
InChI Key	RIUJWUWLGXBICR-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

Ethyl 2,3-dibromopropionate, 97%

CAS: 3674-13-3 Molecular Formula: C5H8Br2O2 Molecular Weight (g/mol): 259.925 MDL Number: MFCD00000212 InChI Key: OENICUBCLXKLJQ-UHFFFAOYSA-N PubChem CID: 97945 IUPAC Name: ethyl 2,3-dibromopropanoate SMILES: CCOC(=O)C(CBr)Br

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Specifications

PubChem CID	97945
CAS	3674-13-3
Molecular Weight (g/mol)	259.925
MDL Number	MFCD00000212
SMILES	CCOC(=O)C(CBr)Br
IUPAC Name	ethyl 2,3-dibromopropanoate
InChI Key	OENICUBCLXKLJQ-UHFFFAOYSA-N
Molecular Formula	C5H8Br2O2

Alpha-halocarboxylic acids and derivatives

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