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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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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Specifications

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

tert-Butyl bromoacetate, 99%

CAS: 5292-43-3 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000188 InChI Key: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC Name: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr

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Specifications

PubChem CID	79177
CAS	5292-43-3
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000188
SMILES	CC(C)(C)OC(=O)CBr
Synonym	tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat
IUPAC Name	tert-butyl 2-bromoacetate
InChI Key	BNWCETAHAJSBFG-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

Bromoacetic anhydride, 95%

CAS: 13094-51-4 Molecular Formula: C₄H₄Br₂O₃ Molecular Weight (g/mol): 259.87 MDL Number: MFCD00045041 InChI Key: FUKOTTQGWQVMQB-UHFFFAOYSA-N Synonym: bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride PubChem CID: 4259817 IUPAC Name: (2-bromoacetyl) 2-bromoacetate SMILES: C(C(=O)OC(=O)CBr)Br

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Specifications

PubChem CID	4259817
CAS	13094-51-4
Molecular Weight (g/mol)	259.87
MDL Number	MFCD00045041
SMILES	C(C(=O)OC(=O)CBr)Br
Synonym	bromoacetic anhydride,2-bromoacetic anhydride,acetic acid, 2-bromo-,1,1'-anhydride,2-bromoacetyl 2-bromoacetate,bromoaceticanhydride,acetic acid, bromo-, anhydride
IUPAC Name	(2-bromoacetyl) 2-bromoacetate
InChI Key	FUKOTTQGWQVMQB-UHFFFAOYSA-N
Molecular Formula	C₄H₄Br₂O₃

2-Fluoropropionic acid, 96%, Thermo Scientific Chemicals

CAS: 6087-13-4 Molecular Formula: C3H5FO2 Molecular Weight (g/mol): 92.069 MDL Number: MFCD06247714 InChI Key: ZVZPFTCEXIGSHM-UHFFFAOYSA-N Synonym: 2-fluoropropionic acid,2-fluoro-propionic acid,propanoic acid, 2-fluoro,pubchem13698,propanoic acid,2-fluoro,acmc-1b20x,ksc492i2p PubChem CID: 256876 IUPAC Name: 2-fluoropropanoic acid SMILES: CC(C(=O)O)F

Pricing and Availability
Specifications

PubChem CID	256876
CAS	6087-13-4
Molecular Weight (g/mol)	92.069
MDL Number	MFCD06247714
SMILES	CC(C(=O)O)F
Synonym	2-fluoropropionic acid,2-fluoro-propionic acid,propanoic acid, 2-fluoro,pubchem13698,propanoic acid,2-fluoro,acmc-1b20x,ksc492i2p
IUPAC Name	2-fluoropropanoic acid
InChI Key	ZVZPFTCEXIGSHM-UHFFFAOYSA-N
Molecular Formula	C3H5FO2

Palladium(II) trifluoroacetate, 97%

CAS: 42196-31-6 Molecular Formula: C4F6O4Pd Molecular Weight (g/mol): 332.45 MDL Number: MFCD00013204 InChI Key: PBDBXAQKXCXZCJ-UHFFFAOYSA-L Synonym: palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d PubChem CID: 2733347 IUPAC Name: palladium(2+);2,2,2-trifluoroacetate SMILES: [Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

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Specifications

PubChem CID	2733347
CAS	42196-31-6
Molecular Weight (g/mol)	332.45
MDL Number	MFCD00013204
SMILES	[Pd++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Synonym	palladium ii trifluoroacetate,palladium ii 2,2,2-trifluoroacetate,palladium 2+ ion ditrifluoroacetate,palladium trifluoroacetate,palladium 2+ ditrifluoroacetate,trifluoroacetic acid palladium ii salt,bis 2,2,2-trifluoroacetoxy palladium,acmc-209jo7,ksc235m3d
IUPAC Name	palladium(2+);2,2,2-trifluoroacetate
InChI Key	PBDBXAQKXCXZCJ-UHFFFAOYSA-L
Molecular Formula	C4F6O4Pd

Sodium dichloroacetate, 96%

CAS: 2156-56-1 Molecular Formula: C2HCl2NaO2 Molecular Weight (g/mol): 150.92 MDL Number: MFCD00070489 InChI Key: LUPNKHXLFSSUGS-UHFFFAOYSA-M Synonym: sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt PubChem CID: 517326 IUPAC Name: sodium;2,2-dichloroacetate SMILES: [Na+].[O-]C(=O)C(Cl)Cl

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Specifications

PubChem CID	517326
CAS	2156-56-1
Molecular Weight (g/mol)	150.92
MDL Number	MFCD00070489
SMILES	[Na+].[O-]C(=O)C(Cl)Cl
Synonym	sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt
IUPAC Name	sodium;2,2-dichloroacetate
InChI Key	LUPNKHXLFSSUGS-UHFFFAOYSA-M
Molecular Formula	C2HCl2NaO2

Iodoacetic acid, 97%

CAS: 64-69-7 Molecular Formula: C₂H₃IO₂ Molecular Weight (g/mol): 185.95 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)	185.95
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

Diethyl fluoromalonate, 97%

CAS: 685-88-1 Molecular Formula: C7H11FO4 Molecular Weight (g/mol): 178.159 MDL Number: MFCD00009139 InChI Key: GOWQBFVDZPZZFA-UHFFFAOYSA-N Synonym: diethyl fluoromalonate,diethyl 2-fluoromalonate,fluoromalonic acid diethyl ester,1,3-diethyl 2-fluoropropanedioate,diethylfluoromalonate,2-fluoro-malonic acid diethyl ester,diethyl2-fluoromalonate,diethyl fluoropropanedioate,propanedioic acid, fluoro-, diethyl ester,malonic acid, fluoro-, diethyl ester PubChem CID: 12702 IUPAC Name: diethyl 2-fluoropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)F

Pricing and Availability
Specifications

PubChem CID	12702
CAS	685-88-1
Molecular Weight (g/mol)	178.159
MDL Number	MFCD00009139
SMILES	CCOC(=O)C(C(=O)OCC)F
Synonym	diethyl fluoromalonate,diethyl 2-fluoromalonate,fluoromalonic acid diethyl ester,1,3-diethyl 2-fluoropropanedioate,diethylfluoromalonate,2-fluoro-malonic acid diethyl ester,diethyl2-fluoromalonate,diethyl fluoropropanedioate,propanedioic acid, fluoro-, diethyl ester,malonic acid, fluoro-, diethyl ester
IUPAC Name	diethyl 2-fluoropropanedioate
InChI Key	GOWQBFVDZPZZFA-UHFFFAOYSA-N
Molecular Formula	C7H11FO4

Ethyl 2-bromoisovalerate, 97%

CAS: 609-12-1 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00026855 InChI Key: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 IUPAC Name: ethyl 2-bromo-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)Br

Pricing and Availability
Specifications

PubChem CID	79068
CAS	609-12-1
Molecular Weight (g/mol)	209.083
MDL Number	MFCD00026855
SMILES	CCOC(=O)C(C(C)C)Br
Synonym	ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate
IUPAC Name	ethyl 2-bromo-3-methylbutanoate
InChI Key	WNFUWONOILPKNX-UHFFFAOYSA-N
Molecular Formula	C7H13BrO2

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

DL-alpha-Bromophenylacetic acid, 97%

CAS: 4870-65-9 Molecular Formula: C₈H₇BrO₂ Molecular Weight (g/mol): 215.04 InChI Key: WAKFRZBXTKUFIW-UHFFFAOYSA-N Synonym: alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid PubChem CID: 97919 IUPAC Name: 2-bromo-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)Br

Pricing and Availability
Specifications

PubChem CID	97919
CAS	4870-65-9
Molecular Weight (g/mol)	215.04
SMILES	C1=CC=C(C=C1)C(C(=O)O)Br
Synonym	alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid
IUPAC Name	2-bromo-2-phenylacetic acid
InChI Key	WAKFRZBXTKUFIW-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrO₂

tert-Butyl chloroacetate, 97%

CAS: 107-59-5 Molecular Formula: C₆H₁₁ClO₂ Molecular Weight (g/mol): 150 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

Pricing and Availability
Specifications

PubChem CID	66052
CAS	107-59-5
Molecular Weight (g/mol)	150
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

Trichloroacetic anhydride, 95%

CAS: 4124-31-6 Molecular Formula: C4Cl6O3 Molecular Weight (g/mol): 308.741 MDL Number: MFCD00000793 InChI Key: MEFKFJOEVLUFAY-UHFFFAOYSA-N Synonym: trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate PubChem CID: 20079 IUPAC Name: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl

Pricing and Availability
Specifications

PubChem CID	20079
CAS	4124-31-6
Molecular Weight (g/mol)	308.741
MDL Number	MFCD00000793
SMILES	C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
Synonym	trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate
IUPAC Name	(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
InChI Key	MEFKFJOEVLUFAY-UHFFFAOYSA-N
Molecular Formula	C4Cl6O3

Ethyl 2-bromopropionate, 98+%

CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: 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 PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br

Pricing and Availability
Specifications

PubChem CID	79040
CAS	535-11-5
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00000144
SMILES	CCOC(=O)C(C)Br
Synonym	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
IUPAC Name	ethyl 2-bromopropanoate
InChI Key	ARFLASKVLJTEJD-UHFFFAOYNA-N
Molecular Formula	C5H9BrO2

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

Pricing and Availability
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

Alpha-halocarboxylic acids and derivatives

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