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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Ethyl dibromofluoroacetate, 97%

CAS: 565-53-7 Molecular Formula: C4H5Br2FO2 Molecular Weight (g/mol): 263.89 MDL Number: MFCD00042068 InChI Key: COYRDMUQLSIAEX-UHFFFAOYSA-N Synonym: ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate PubChem CID: 2737168 IUPAC Name: ethyl 2,2-dibromo-2-fluoroacetate SMILES: CCOC(=O)C(F)(Br)Br

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PubChem CID	2737168
CAS	565-53-7
Molecular Weight (g/mol)	263.89
MDL Number	MFCD00042068
SMILES	CCOC(=O)C(F)(Br)Br
Synonym	ethyl dibromofluoroacetate,dibromofluoroacetic acid ethyl ester,ethyldibromofluoroacetate,2,2-dibromo-1-ethoxy-2-fluoroethan-1-one,acmc-1aqw2,ethyl 2,2-dibromo-2-fluoracetate,ethyl 2,2-dibromo-2-fluoro-acetate
IUPAC Name	ethyl 2,2-dibromo-2-fluoroacetate
InChI Key	COYRDMUQLSIAEX-UHFFFAOYSA-N
Molecular Formula	C4H5Br2FO2

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Ethyl 1-bromocyclobutanecarboxylate, 96%

CAS: 35120-18-4 Molecular Formula: C₇H₁₁BrO₂ Molecular Weight (g/mol): 207.06 MDL Number: MFCD00001322 InChI Key: UTVNSHXHFRIXMM-UHFFFAOYSA-N Synonym: ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane PubChem CID: 97595 IUPAC Name: ethyl 1-bromocyclobutane-1-carboxylate SMILES: CCOC(=O)C1(CCC1)Br

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PubChem CID	97595
CAS	35120-18-4
Molecular Weight (g/mol)	207.06
MDL Number	MFCD00001322
SMILES	CCOC(=O)C1(CCC1)Br
Synonym	ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane
IUPAC Name	ethyl 1-bromocyclobutane-1-carboxylate
InChI Key	UTVNSHXHFRIXMM-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁BrO₂

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+]

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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

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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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

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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

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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

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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

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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

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Ethyl 2-bromopropionate, 98+%

CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br

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PubChem CID	79040
CAS	535-11-5
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00000144
SMILES	CCOC(=O)C(C)Br
Synonym	ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate
IUPAC Name	ethyl 2-bromopropanoate
InChI Key	ARFLASKVLJTEJD-UHFFFAOYNA-N
Molecular Formula	C5H9BrO2

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Diethyl chloromalonate, 90%

CAS: 14064-10-9 Molecular Formula: C₇H₁₁ClO₄ Molecular Weight (g/mol): 194.61 InChI Key: WLWCQKMQYZFTDR-UHFFFAOYSA-N Synonym: diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester PubChem CID: 84182 IUPAC Name: diethyl 2-chloropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Cl

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PubChem CID	84182
CAS	14064-10-9
Molecular Weight (g/mol)	194.61
SMILES	CCOC(=O)C(C(=O)OCC)Cl
Synonym	diethyl chloromalonate,diethyl 2-chloromalonate,ethyl chloromalonate,ethylmonochloromalonate,propanedioic acid, chloro-, diethyl ester,chloromalonic acid, diethyl ester,diethyl chloropropanedioate,malonic acid, chloro-, diethyl ester,1,3-diethyl 2-chloropropanedioate,propanedioic acid, 2-chloro-, 1,3-diethyl ester
IUPAC Name	diethyl 2-chloropropanedioate
InChI Key	WLWCQKMQYZFTDR-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁ClO₄

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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

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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

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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

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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

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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

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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

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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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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

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(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

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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

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.

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Diethyl difluoromalonate, 97%

CAS: 680-65-9 Molecular Formula: C7H10F2O4 Molecular Weight (g/mol): 196.15 MDL Number: MFCD00221617 InChI Key: WCRVWLHTROHXBB-UHFFFAOYSA-N Synonym: diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev PubChem CID: 260648 IUPAC Name: diethyl 2,2-difluoropropanedioate SMILES: CCOC(=O)C(F)(F)C(=O)OCC

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PubChem CID	260648
CAS	680-65-9
Molecular Weight (g/mol)	196.15
MDL Number	MFCD00221617
SMILES	CCOC(=O)C(F)(F)C(=O)OCC
Synonym	diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev
IUPAC Name	diethyl 2,2-difluoropropanedioate
InChI Key	WCRVWLHTROHXBB-UHFFFAOYSA-N
Molecular Formula	C7H10F2O4

Alpha-halocarboxylic acids and derivatives

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