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.

1 – 15 of 143 results

Chloroacetic acid, 99+%

CAS: 79-11-8 Molecular Formula: C₂H₃ClO₂ Molecular Weight (g/mol): 94.5 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)	94.5
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

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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Specifications

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

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

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

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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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

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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

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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

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

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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

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

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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

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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

PubChem CID	300
CAS	79-11-8
Molecular Weight (g/mol)	94.5
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

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Ethyl chloroacetate, 99%

CAS: 105-39-5 MDL Number: MFCD00000932 InChI Key: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonym: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf PubChem CID: 7751 IUPAC Name: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

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Specifications

PubChem CID	7751
CAS	105-39-5
MDL Number	MFCD00000932
SMILES	CCOC(=O)CCl
Synonym	ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf
IUPAC Name	ethyl 2-chloroacetate
InChI Key	VEUUMBGHMNQHGO-UHFFFAOYSA-N

Cyclohexyl 2-chloroacetate, 97%, Thermo Scientific™

CAS: 6975-91-3 Molecular Formula: C8H13ClO2 Molecular Weight (g/mol): 176.64 MDL Number: MFCD00084989 InChI Key: IBFHBLOKQVCABG-UHFFFAOYSA-N Synonym: cyclohexyl chloroacetate,cyclohexyl chloroacetate #,1-chloroacetyl oxy cyclohexane,chloroacetic acid cyclohexyl ester,chloroacetic acid, cyclohexyl ester,acetic acid, 2-chloro-, cyclohexyl ester PubChem CID: 228008 IUPAC Name: cyclohexyl 2-chloroacetate SMILES: C1CCC(CC1)OC(=O)CCl

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Specifications

PubChem CID	228008
CAS	6975-91-3
Molecular Weight (g/mol)	176.64
MDL Number	MFCD00084989
SMILES	C1CCC(CC1)OC(=O)CCl
Synonym	cyclohexyl chloroacetate,cyclohexyl chloroacetate #,1-chloroacetyl oxy cyclohexane,chloroacetic acid cyclohexyl ester,chloroacetic acid, cyclohexyl ester,acetic acid, 2-chloro-, cyclohexyl ester
IUPAC Name	cyclohexyl 2-chloroacetate
InChI Key	IBFHBLOKQVCABG-UHFFFAOYSA-N
Molecular Formula	C8H13ClO2

Ethyl 2-fluoroisobutyrate, 97%, Thermo Scientific Chemicals

CAS: 55816-69-8 Molecular Formula: C6H11FO2 Molecular Weight (g/mol): 134.15 MDL Number: MFCD08062432 InChI Key: CJRQQJKWNULSFQ-UHFFFAOYSA-N Synonym: ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester PubChem CID: 10898763 IUPAC Name: ethyl 2-fluoro-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)F

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Specifications

PubChem CID	10898763
CAS	55816-69-8
Molecular Weight (g/mol)	134.15
MDL Number	MFCD08062432
SMILES	CCOC(=O)C(C)(C)F
Synonym	ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester
IUPAC Name	ethyl 2-fluoro-2-methylpropanoate
InChI Key	CJRQQJKWNULSFQ-UHFFFAOYSA-N
Molecular Formula	C6H11FO2

2,2-Difluoropropionic acid, 97%, Thermo Scientific Chemicals

CAS: 373-96-6 Molecular Formula: C3H4F2O2 Molecular Weight (g/mol): 110.06 MDL Number: MFCD03093764 InChI Key: PMWGIVRHUIAIII-UHFFFAOYSA-N Synonym: 2,2-difluoropropionic acid,2,2-difluoropropionicacid,2,2-difluoro-propionic acid,propanoic acid, 2,2-difluoro,acmc-1ctsu,2,2-difluorpropionic acid PubChem CID: 2782825 IUPAC Name: 2,2-difluoropropanoic acid SMILES: CC(F)(F)C(O)=O

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Specifications

PubChem CID	2782825
CAS	373-96-6
Molecular Weight (g/mol)	110.06
MDL Number	MFCD03093764
SMILES	CC(F)(F)C(O)=O
Synonym	2,2-difluoropropionic acid,2,2-difluoropropionicacid,2,2-difluoro-propionic acid,propanoic acid, 2,2-difluoro,acmc-1ctsu,2,2-difluorpropionic acid
IUPAC Name	2,2-difluoropropanoic acid
InChI Key	PMWGIVRHUIAIII-UHFFFAOYSA-N
Molecular Formula	C3H4F2O2

Ethyl 2-bromoisobutyrate, 98+%

CAS: 600-00-0 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000123 InChI Key: IOLQWGVDEFWYNP-UHFFFAOYSA-N Synonym: ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester PubChem CID: 11745 IUPAC Name: ethyl 2-bromo-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Br

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Specifications

PubChem CID	11745
CAS	600-00-0
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000123
SMILES	CCOC(=O)C(C)(C)Br
Synonym	ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester
IUPAC Name	ethyl 2-bromo-2-methylpropanoate
InChI Key	IOLQWGVDEFWYNP-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

Alpha-halocarboxylic acids and derivatives

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