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 205 results

Ethyl difluoroacetate, 98%

CAS: 454-31-9 Molecular Formula: C4H6F2O2 Molecular Weight (g/mol): 124.087 MDL Number: MFCD00013578 InChI Key: GZKHDVAKKLTJPO-UHFFFAOYSA-N Synonym: ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat PubChem CID: 9961 IUPAC Name: ethyl 2,2-difluoroacetate SMILES: CCOC(=O)C(F)F

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Specifications

PubChem CID	9961
CAS	454-31-9
Molecular Weight (g/mol)	124.087
MDL Number	MFCD00013578
SMILES	CCOC(=O)C(F)F
Synonym	ethyl difluoroacetate,acetic acid, difluoro-, ethyl ester,difluoroacetic acid ethyl ester,ethyldifluoroacetate,ethyl difluoroacetic,ethyl difluoro acetate,difluoro-acetic acid ethyl ester,ethyl difluoroacetic acid,acetic acid, 2,2-difluoro-, ethyl ester,ethyldifluoracetat
IUPAC Name	ethyl 2,2-difluoroacetate
InChI Key	GZKHDVAKKLTJPO-UHFFFAOYSA-N
Molecular Formula	C4H6F2O2

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

Chloroacetic acid, 99%

CAS: 79-11-8 Molecular Formula: C2H3ClO2 Molecular Weight (g/mol): 94.494 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)	94.494
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

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

4-Acetyl-2-Fluorobiphenyl, 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.

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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

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Specifications

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

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

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Specifications

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

Trifluoroacetic anhydride, 99+%

CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

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Specifications

PubChem CID	9845
CAS	407-25-0
Molecular Weight (g/mol)	210.03
MDL Number	MFCD00000416
SMILES	FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym	trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
InChI Key	QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Molecular Formula	C4F6O3

(+/-)-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

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Specifications

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

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+]

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Specifications

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

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]

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Specifications

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

2-Chloroacrylic acid, 96%, stab. with ca 0.3% BHT

CAS: 598-79-8 Molecular Formula: C3H3ClO2 Molecular Weight (g/mol): 106.51 MDL Number: MFCD00014336 InChI Key: SZTBMYHIYNGYIA-UHFFFAOYSA-N Synonym: 2-chloroacrylic acid,chloroacrylic acid,2-propenoic acid, 2-chloro,alpha-chloroacrylic acid,acrylic acid, 2-chloro,2-chloro-2-propenoic acid,.alpha.-chloroacrylic acid,acmc-1aqt3 PubChem CID: 11735 ChEBI: CHEBI:73963 IUPAC Name: 2-chloroprop-2-enoic acid SMILES: OC(=O)C(Cl)=C

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Specifications

PubChem CID	11735
CAS	598-79-8
Molecular Weight (g/mol)	106.51
ChEBI	CHEBI:73963
MDL Number	MFCD00014336
SMILES	OC(=O)C(Cl)=C
Synonym	2-chloroacrylic acid,chloroacrylic acid,2-propenoic acid, 2-chloro,alpha-chloroacrylic acid,acrylic acid, 2-chloro,2-chloro-2-propenoic acid,.alpha.-chloroacrylic acid,acmc-1aqt3
IUPAC Name	2-chloroprop-2-enoic acid
InChI Key	SZTBMYHIYNGYIA-UHFFFAOYSA-N
Molecular Formula	C3H3ClO2

Zinc trifluoroacetate hydrate

CAS: 207801-31-8 Molecular Formula: C4F6O4Zn Molecular Weight (g/mol): 291.41 MDL Number: MFCD00061595 InChI Key: VCQWRGCXUWPSGY-UHFFFAOYSA-L Synonym: zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate PubChem CID: 57375648 IUPAC Name: zinc;2,2,2-trifluoroacetate;hydrate SMILES: [Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

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Specifications

PubChem CID	57375648
CAS	207801-31-8
Molecular Weight (g/mol)	291.41
MDL Number	MFCD00061595
SMILES	[Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Synonym	zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate
IUPAC Name	zinc;2,2,2-trifluoroacetate;hydrate
InChI Key	VCQWRGCXUWPSGY-UHFFFAOYSA-L
Molecular Formula	C4F6O4Zn

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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