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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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  • (17)
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1 – 14 of 14 results
1

Sodium trichloroacetate, 97%

CAS: 650-51-1 Molecular Formula: C2Cl3NaO2 Molecular Weight (g/mol): 185.36 MDL Number: MFCD00064198 InChI Key: SAQSTQBVENFSKT-UHFFFAOYSA-M Synonym: sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca PubChem CID: 23681045 ChEBI: CHEBI:81976 IUPAC Name: sodium;2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]

PubChem CID 23681045
CAS 650-51-1
Molecular Weight (g/mol) 185.36
ChEBI CHEBI:81976
MDL Number MFCD00064198
SMILES C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]
Synonym sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca
IUPAC Name sodium;2,2,2-trichloroacetate
InChI Key SAQSTQBVENFSKT-UHFFFAOYSA-M
Molecular Formula C2Cl3NaO2
2

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

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
3

alpha,alpha-Difluorophenylacetic acid, 97%

CAS: 360-03-2 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00498146 InChI Key: PFKSLFZFBCIJOI-UHFFFAOYSA-N PubChem CID: 726153 IUPAC Name: 2,2-difluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)(F)F

PubChem CID 726153
CAS 360-03-2
Molecular Weight (g/mol) 172.131
MDL Number MFCD00498146
SMILES C1=CC=C(C=C1)C(C(=O)O)(F)F
IUPAC Name 2,2-difluoro-2-phenylacetic acid
InChI Key PFKSLFZFBCIJOI-UHFFFAOYSA-N
Molecular Formula C8H6F2O2
4

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

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
5

Ethyl hexafluoroglutaryl chloride, 97%, Thermo Scientific Chemicals

CAS: 18381-53-8 Molecular Formula: C7H5ClF6O3 Molecular Weight (g/mol): 286.55 MDL Number: MFCD00054671 InChI Key: OLRXGDHRDQKNGW-UHFFFAOYSA-N PubChem CID: 161251 IUPAC Name: ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate SMILES: CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O

PubChem CID 161251
CAS 18381-53-8
Molecular Weight (g/mol) 286.55
MDL Number MFCD00054671
SMILES CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O
IUPAC Name ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
InChI Key OLRXGDHRDQKNGW-UHFFFAOYSA-N
Molecular Formula C7H5ClF6O3
6

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

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
7

(+/-)-2-Chloropropionic acid, 94%

CAS: 598-78-7 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.52 MDL Number: MFCD00004224 InChI Key: GAWAYYRQGQZKCR-UHFFFAOYNA-N Synonym: 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro PubChem CID: 11734 IUPAC Name: 2-chloropropanoic acid SMILES: CC(Cl)C(O)=O

PubChem CID 11734
CAS 598-78-7
Molecular Weight (g/mol) 108.52
MDL Number MFCD00004224
SMILES CC(Cl)C(O)=O
Synonym 2-chloropropionic acid,propanoic acid, 2-chloro,propionic acid, 2-chloro,alpha-chloropropionic acid,alpha-monochloropropionic acid,propionic acid, alpha-chloro,.alpha.-chloropropionic acid,propionic acid, .alpha.-chloro,chloropropionic acid,propanoic acid, chloro
IUPAC Name 2-chloropropanoic acid
InChI Key GAWAYYRQGQZKCR-UHFFFAOYNA-N
Molecular Formula C3H5ClO2
8

Ethyl iodoacetate, 98%, Thermo Scientific Chemicals

CAS: 623-48-3 Molecular Formula: C4H7IO2 Molecular Weight (g/mol): 214.00 MDL Number: MFCD00001081 InChI Key: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC Name: ethyl 2-iodoacetate SMILES: CCOC(=O)CI

PubChem CID 12183
CAS 623-48-3
Molecular Weight (g/mol) 214.00
MDL Number MFCD00001081
SMILES CCOC(=O)CI
Synonym ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl
IUPAC Name ethyl 2-iodoacetate
InChI Key MFFXVVHUKRKXCI-UHFFFAOYSA-N
Molecular Formula C4H7IO2
9

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

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
10

Lead(II) trifluoroacetate hemihydrate, Thermo Scientific Chemicals

CAS: 4146-73-0 Molecular Formula: C4F6O4Pb Molecular Weight (g/mol): 433.23 MDL Number: MFCD00061594 InChI Key: XVULNTYAIWEMSW-UHFFFAOYSA-L Synonym: lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii PubChem CID: 71311182 IUPAC Name: lead(2+);2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pb+2]

PubChem CID 71311182
CAS 4146-73-0
Molecular Weight (g/mol) 433.23
MDL Number MFCD00061594
SMILES C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pb+2]
Synonym lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii
IUPAC Name lead(2+);2,2,2-trifluoroacetate
InChI Key XVULNTYAIWEMSW-UHFFFAOYSA-L
Molecular Formula C4F6O4Pb
11

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

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
12

Chlorodifluoroacetic acid, 98+%, Thermo Scientific™

CAS: 76-04-0 Molecular Formula: C2HClF2O2 Molecular Weight (g/mol): 130.475 MDL Number: MFCD00004176 InChI Key: OAWAZQITIZDJRB-UHFFFAOYSA-N Synonym: chlorodifluoroacetic acid,acetic acid, chlorodifluoro,difluorochloroacetic acid,chloro difluoro acetic acid,2-chloro-2,2-difluoro-acetic acid,acetic acid, 2-chloro-2,2-difluoro,snpljqdjptadtaetp@,chlorodifluoroaceticacid,chlorodifluoro acetic acid,acmc-209p1k PubChem CID: 66154 IUPAC Name: 2-chloro-2,2-difluoroacetic acid SMILES: C(=O)(C(F)(F)Cl)O

PubChem CID 66154
CAS 76-04-0
Molecular Weight (g/mol) 130.475
MDL Number MFCD00004176
SMILES C(=O)(C(F)(F)Cl)O
Synonym chlorodifluoroacetic acid,acetic acid, chlorodifluoro,difluorochloroacetic acid,chloro difluoro acetic acid,2-chloro-2,2-difluoro-acetic acid,acetic acid, 2-chloro-2,2-difluoro,snpljqdjptadtaetp@,chlorodifluoroaceticacid,chlorodifluoro acetic acid,acmc-209p1k
IUPAC Name 2-chloro-2,2-difluoroacetic acid
InChI Key OAWAZQITIZDJRB-UHFFFAOYSA-N
Molecular Formula C2HClF2O2
13

Methyl alpha-bromophenylacetate, 97%, Thermo Scientific™

CAS: 3042-81-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013535 InChI Key: NHFBYYMNJUMVOT-UHFFFAOYSA-N Synonym: methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate PubChem CID: 137806 IUPAC Name: methyl 2-bromo-2-phenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)Br

PubChem CID 137806
CAS 3042-81-7
Molecular Weight (g/mol) 229.073
MDL Number MFCD00013535
SMILES COC(=O)C(C1=CC=CC=C1)Br
Synonym methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate
IUPAC Name methyl 2-bromo-2-phenylacetate
InChI Key NHFBYYMNJUMVOT-UHFFFAOYSA-N
Molecular Formula C9H9BrO2
14

Ethyl 2-chloropropionate, 97%, Thermo Scientific™

CAS: 535-13-7 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.58 MDL Number: MFCD00000864 InChI Key: JEAVBVKAYUCPAQ-UHFFFAOYNA-N Synonym: ethyl 2-chloropropionate,2-chloropropionic acid ethyl ester,propanoic acid, 2-chloro-, ethyl ester,ethyl-2-chloropropionate,2-chloropropionic acid, ethyl ester,ethyl alpha-chloropropionate,ethyl .alpha.-chloropropionate,propionic acid, 2-chloro-, ethyl ester,+-ethyl 2-chloropropionate,ethyl ?-chloropropionate PubChem CID: 10807 IUPAC Name: ethyl 2-chloropropanoate SMILES: CCOC(=O)C(C)Cl

PubChem CID 10807
CAS 535-13-7
Molecular Weight (g/mol) 136.58
MDL Number MFCD00000864
SMILES CCOC(=O)C(C)Cl
Synonym ethyl 2-chloropropionate,2-chloropropionic acid ethyl ester,propanoic acid, 2-chloro-, ethyl ester,ethyl-2-chloropropionate,2-chloropropionic acid, ethyl ester,ethyl alpha-chloropropionate,ethyl .alpha.-chloropropionate,propionic acid, 2-chloro-, ethyl ester,+-ethyl 2-chloropropionate,ethyl ?-chloropropionate
IUPAC Name ethyl 2-chloropropanoate
InChI Key JEAVBVKAYUCPAQ-UHFFFAOYNA-N
Molecular Formula C5H9ClO2