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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 106 results
1

(S)-(-)-2-Bromopropionic acid, 98%, >85% ee

CAS: 32644-15-8 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.98 MDL Number: MFCD00137325 InChI Key: MONMFXREYOKQTI-REOHCLBHSA-N Synonym: s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid PubChem CID: 642232 IUPAC Name: (2S)-2-bromopropanoic acid SMILES: CC(C(=O)O)Br

PubChem CID 642232
CAS 32644-15-8
Molecular Weight (g/mol) 152.98
MDL Number MFCD00137325
SMILES CC(C(=O)O)Br
Synonym s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid
IUPAC Name (2S)-2-bromopropanoic acid
InChI Key MONMFXREYOKQTI-REOHCLBHSA-N
Molecular Formula C3H5BrO2
2

Ethyl trifluoroacetate, 99%

CAS: 383-63-1 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.08 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

PubChem CID 9794
CAS 383-63-1
Molecular Weight (g/mol) 142.08
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
3

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

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
4

Benzyl chloroacetate, 98%

CAS: 140-18-1 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00157062 InChI Key: SOGXBRHOWDEKQB-UHFFFAOYSA-N Synonym: benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate PubChem CID: 8786 IUPAC Name: benzyl 2-chloroacetate SMILES: C1=CC=C(C=C1)COC(=O)CCl

PubChem CID 8786
CAS 140-18-1
Molecular Weight (g/mol) 184.62
MDL Number MFCD00157062
SMILES C1=CC=C(C=C1)COC(=O)CCl
Synonym benzyl chloroacetate,benzyl monochloracetate,acetic acid, chloro-, phenylmethyl ester,chloroacetic acid, benzyl ester,monochloroacetate,chloroacetic acid benzyl ester,benzyl-alpha-chloroacetate,phenylmethyl chloroacetate,acetic acid, chloro-, benzyl ester,phenylmethyl 2-chloroacetate
IUPAC Name benzyl 2-chloroacetate
InChI Key SOGXBRHOWDEKQB-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
5

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

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
6

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+]

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
7

chloroacetic anhydride, 97%

CAS: 541-88-8 Molecular Formula: C4H4Cl2O3 Molecular Weight (g/mol): 170.97 MDL Number: MFCD00000929 InChI Key: PNVPNXKRAUBJGW-UHFFFAOYSA-N Synonym: chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f PubChem CID: 10946 IUPAC Name: (2-chloroacetyl) 2-chloroacetate SMILES: ClCC(=O)OC(=O)CCl

PubChem CID 10946
CAS 541-88-8
Molecular Weight (g/mol) 170.97
MDL Number MFCD00000929
SMILES ClCC(=O)OC(=O)CCl
Synonym chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f
IUPAC Name (2-chloroacetyl) 2-chloroacetate
InChI Key PNVPNXKRAUBJGW-UHFFFAOYSA-N
Molecular Formula C4H4Cl2O3
8

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

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
9

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

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
10

Ethyl bromodifluoroacetate, 98%

CAS: 667-27-6 Molecular Formula: C4H5BrF2O2 Molecular Weight (g/mol): 202.99 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

PubChem CID 69585
CAS 667-27-6
Molecular Weight (g/mol) 202.99
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
11

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

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
12

Dimethyl bromomalonate, 90%, tech.

CAS: 868-26-8 Molecular Formula: C5H7BrO4 Molecular Weight (g/mol): 211.02 MDL Number: MFCD00025865 InChI Key: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonym: dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # PubChem CID: 70087 IUPAC Name: dimethyl 2-bromopropanedioate SMILES: COC(=O)C(C(=O)OC)Br

PubChem CID 70087
CAS 868-26-8
Molecular Weight (g/mol) 211.02
MDL Number MFCD00025865
SMILES COC(=O)C(C(=O)OC)Br
Synonym dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate #
IUPAC Name dimethyl 2-bromopropanedioate
InChI Key NEMOJKROKMMQBQ-UHFFFAOYSA-N
Molecular Formula C5H7BrO4
13

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

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
14

(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

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
15

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

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