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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 203 results
1

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

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
2

Ethyl fluoroacetate, 98%

CAS: 459-72-3 Molecular Formula: C4H7FO2 Molecular Weight (g/mol): 106.096 MDL Number: MFCD00000450 InChI Key: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonym: ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester PubChem CID: 9988 IUPAC Name: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF

PubChem CID 9988
CAS 459-72-3
Molecular Weight (g/mol) 106.096
MDL Number MFCD00000450
SMILES CCOC(=O)CF
Synonym ethyl fluoroacetate,ethyl monofluoroacetate,acetic acid, fluoro-, ethyl ester,fluoroacetic acid ethyl ester,unii-aus1l6um7b,ethylester kyseliny fluoroctove,monofluoroacetic acid ethyl ester,aus1l6um7b,ethylester kyseliny fluoroctove czech,acetic acid, 2-fluoro-, ethyl ester
IUPAC Name ethyl 2-fluoroacetate
InChI Key VCYZVXRKYPKDQB-UHFFFAOYSA-N
Molecular Formula C4H7FO2
3

DL-2-Bromopropionic acid, 99%

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

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
4

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

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
5

Ethyl bromoacetate, 98%

CAS: 105-36-2 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.002 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

PubChem CID 7748
CAS 105-36-2
Molecular Weight (g/mol) 167.002
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
Molecular Formula C4H7BrO2
6

(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
7

Triprolidine Hydrochloride, 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.

8

LiChropur™ Difluoroacetic Acid, MilliporeSigma™ Supelco™

CAS: 381-73-7 Molecular Formula: C2H2F2O2 Molecular Weight (g/mol): 96.03 MDL Number: MFCD00004220 InChI Key: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: DFA IUPAC Name: 2,2-difluoroacetic acid SMILES: OC(=O)C(F)F

CAS 381-73-7
Molecular Weight (g/mol) 96.03
MDL Number MFCD00004220
SMILES OC(=O)C(F)F
Synonym DFA
IUPAC Name 2,2-difluoroacetic acid
InChI Key PBWZKZYHONABLN-UHFFFAOYSA-N
Molecular Formula C2H2F2O2
9

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

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
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

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

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
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

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

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
14

Gliclazide Impurity F, 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.

15

LiChropur™ Ammonium Trifluoroacetate, MilliporeSigma™ Supelco™

CAS: 3336-58-1 Molecular Formula: C2H5F3NO2 Molecular Weight (g/mol): 132.06 MDL Number: MFCD00012615,MFCD03095537 InChI Key: YCNIBOIOWCTRCL-UHFFFAOYSA-O Synonym: Trifluoroacetic acid ammonium salt IUPAC Name: ammonium trifluoroacetic acid SMILES: [NH4+].OC(=O)C(F)(F)F

CAS 3336-58-1
Molecular Weight (g/mol) 132.06
MDL Number MFCD00012615,MFCD03095537
SMILES [NH4+].OC(=O)C(F)(F)F
Synonym Trifluoroacetic acid ammonium salt
IUPAC Name ammonium trifluoroacetic acid
InChI Key YCNIBOIOWCTRCL-UHFFFAOYSA-O
Molecular Formula C2H5F3NO2