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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 de 203 résultats
1

Diethyl difluoromalonate, 97%

CAS: 680-65-9 Formule moléculaire: C7H10F2O4 Poids moléculaire (g/mol): 196.15 Numéro MDL: MFCD00221617 Clé InChI: WCRVWLHTROHXBB-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 260648 Nom IUPAC: diethyl 2,2-difluoropropanedioate SMILES: CCOC(=O)C(F)(F)C(=O)OCC

Poids moléculaire (g/mol) 196.15
Synonyme 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
Numéro MDL MFCD00221617
CAS 680-65-9
CID PubChem 260648
Nom IUPAC diethyl 2,2-difluoropropanedioate
Clé InChI WCRVWLHTROHXBB-UHFFFAOYSA-N
SMILES CCOC(=O)C(F)(F)C(=O)OCC
Formule moléculaire C7H10F2O4
2

Sodium trichloroacetate, 97%

CAS: 650-51-1 Formule moléculaire: C2Cl3NaO2 Poids moléculaire (g/mol): 185.36 Numéro MDL: MFCD00064198 Clé InChI: SAQSTQBVENFSKT-UHFFFAOYSA-M Synonyme: sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca CID PubChem: 23681045 ChEBI: CHEBI:81976 Nom IUPAC: sodium;2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]

Poids moléculaire (g/mol) 185.36
Synonyme sodium trichloroacetate,tca-sodium,trichloroacetic acid sodium salt,antiperz,antyperz,tca sodium,acp grass killer,sodium tca,varitox,stca
Numéro MDL MFCD00064198
CAS 650-51-1
CID PubChem 23681045
ChEBI CHEBI:81976
Nom IUPAC sodium;2,2,2-trichloroacetate
Clé InChI SAQSTQBVENFSKT-UHFFFAOYSA-M
SMILES C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]
Formule moléculaire C2Cl3NaO2
3

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.

4

LiChropur™ Difluoroacetic Acid, MilliporeSigma™ Supelco™

CAS: 381-73-7 Formule moléculaire: C2H2F2O2 Poids moléculaire (g/mol): 96.03 Numéro MDL: MFCD00004220 Clé InChI: PBWZKZYHONABLN-UHFFFAOYSA-N Synonyme: DFA Nom IUPAC: 2,2-difluoroacetic acid SMILES: OC(=O)C(F)F

Poids moléculaire (g/mol) 96.03
Synonyme DFA
Numéro MDL MFCD00004220
CAS 381-73-7
Nom IUPAC 2,2-difluoroacetic acid
Clé InChI PBWZKZYHONABLN-UHFFFAOYSA-N
SMILES OC(=O)C(F)F
Formule moléculaire C2H2F2O2
5

DL-alpha-Bromophenylacetic acid, 97%

CAS: 4870-65-9 Formule moléculaire: C8H7BrO2 Poids moléculaire (g/mol): 215.04 Clé InChI: WAKFRZBXTKUFIW-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 97919 Nom IUPAC: 2-bromo-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)Br

Poids moléculaire (g/mol) 215.04
Synonyme 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
CAS 4870-65-9
CID PubChem 97919
Nom IUPAC 2-bromo-2-phenylacetic acid
Clé InChI WAKFRZBXTKUFIW-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C(C(=O)O)Br
Formule moléculaire C8H7BrO2
6

2-Chloro-2-ethoxyacetic acid ethyl ester, 90%, remainder mainly ethyl diethoxyacetat, Thermo Scientific Chemicals

CAS: 34006-60-5 Formule moléculaire: C6H11ClO3 Poids moléculaire (g/mol): 166.60 Numéro MDL: MFCD00043953 Clé InChI: WDCHMODANTVRTF-UHFFFAOYNA-N Synonyme: 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester CID PubChem: 2724873 Nom IUPAC: ethyl 2-(1-chloroethoxy)acetate SMILES: CCOC(=O)COC(C)Cl

Poids moléculaire (g/mol) 166.60
Synonyme 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester
Numéro MDL MFCD00043953
CAS 34006-60-5
CID PubChem 2724873
Nom IUPAC ethyl 2-(1-chloroethoxy)acetate
Clé InChI WDCHMODANTVRTF-UHFFFAOYNA-N
SMILES CCOC(=O)COC(C)Cl
Formule moléculaire C6H11ClO3
7

n-Propyl bromoacetate, 97%

CAS: 35223-80-4 Formule moléculaire: C5H9BrO2 Poids moléculaire (g/mol): 181.03 Numéro MDL: MFCD00075247 Clé InChI: ISYUCUGTDNJIHV-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 141981 Nom IUPAC: propyl 2-bromoacetate SMILES: CCCOC(=O)CBr

Poids moléculaire (g/mol) 181.03
Synonyme 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
Numéro MDL MFCD00075247
CAS 35223-80-4
CID PubChem 141981
Nom IUPAC propyl 2-bromoacetate
Clé InChI ISYUCUGTDNJIHV-UHFFFAOYSA-N
SMILES CCCOC(=O)CBr
Formule moléculaire C5H9BrO2
8

(S)-(-)-2-Chloropropionic acid, 98%

CAS: 29617-66-1 Formule moléculaire: C3H4ClO2 Poids moléculaire (g/mol): 107.51 Numéro MDL: MFCD00064205 Clé InChI: GAWAYYRQGQZKCR-REOHCLBHSA-M Synonyme: 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 CID PubChem: 107915 ChEBI: CHEBI:73956 Nom IUPAC: (2S)-2-chloropropanoic acid SMILES: C[C@H](Cl)C([O-])=O

Poids moléculaire (g/mol) 107.51
Synonyme 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
Numéro MDL MFCD00064205
CAS 29617-66-1
CID PubChem 107915
ChEBI CHEBI:73956
Nom IUPAC (2S)-2-chloropropanoic acid
Clé InChI GAWAYYRQGQZKCR-REOHCLBHSA-M
SMILES C[C@H](Cl)C([O-])=O
Formule moléculaire C3H4ClO2
9

Dimethyl bromomalonate, 90%, tech.

CAS: 868-26-8 Formule moléculaire: C5H7BrO4 Poids moléculaire (g/mol): 211.02 Numéro MDL: MFCD00025865 Clé InChI: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonyme: 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 # CID PubChem: 70087 Nom IUPAC: dimethyl 2-bromopropanedioate SMILES: COC(=O)C(C(=O)OC)Br

Poids moléculaire (g/mol) 211.02
Synonyme 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 #
Numéro MDL MFCD00025865
CAS 868-26-8
CID PubChem 70087
Nom IUPAC dimethyl 2-bromopropanedioate
Clé InChI NEMOJKROKMMQBQ-UHFFFAOYSA-N
SMILES COC(=O)C(C(=O)OC)Br
Formule moléculaire C5H7BrO4
10

chloroacetic anhydride, 97%

CAS: 541-88-8 Formule moléculaire: C4H4Cl2O3 Poids moléculaire (g/mol): 170.97 Numéro MDL: MFCD00000929 Clé InChI: PNVPNXKRAUBJGW-UHFFFAOYSA-N Synonyme: chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f CID PubChem: 10946 Nom IUPAC: (2-chloroacetyl) 2-chloroacetate SMILES: ClCC(=O)OC(=O)CCl

Poids moléculaire (g/mol) 170.97
Synonyme chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f
Numéro MDL MFCD00000929
CAS 541-88-8
CID PubChem 10946
Nom IUPAC (2-chloroacetyl) 2-chloroacetate
Clé InChI PNVPNXKRAUBJGW-UHFFFAOYSA-N
SMILES ClCC(=O)OC(=O)CCl
Formule moléculaire C4H4Cl2O3
11

Ethyl dibromoacetate, 96%

CAS: 617-33-4 Formule moléculaire: C4H6Br2O2 Poids moléculaire (g/mol): 245.898 Numéro MDL: MFCD00041718 Clé InChI: NIJGVVHCUXNSLL-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 69237 Nom IUPAC: ethyl 2,2-dibromoacetate SMILES: CCOC(=O)C(Br)Br

Poids moléculaire (g/mol) 245.898
Synonyme 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
Numéro MDL MFCD00041718
CAS 617-33-4
CID PubChem 69237
Nom IUPAC ethyl 2,2-dibromoacetate
Clé InChI NIJGVVHCUXNSLL-UHFFFAOYSA-N
SMILES CCOC(=O)C(Br)Br
Formule moléculaire C4H6Br2O2
12

Ethyl chloroacetate, 99%

CAS: 105-39-5 Formule moléculaire: C4H7ClO2 Poids moléculaire (g/mol): 122.548 Numéro MDL: MFCD00000932 Clé InChI: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonyme: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf CID PubChem: 7751 Nom IUPAC: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

Poids moléculaire (g/mol) 122.548
Synonyme ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf
Numéro MDL MFCD00000932
CAS 105-39-5
CID PubChem 7751
Nom IUPAC ethyl 2-chloroacetate
Clé InChI VEUUMBGHMNQHGO-UHFFFAOYSA-N
SMILES CCOC(=O)CCl
Formule moléculaire C4H7ClO2
13

Lithium trifluoroacetate, 97%

CAS: 2923-17-3 Formule moléculaire: C2F3LiO2 Poids moléculaire (g/mol): 119.96 Numéro MDL: MFCD00013216,MFCD00149663 Clé InChI: HSFDLPWPRRSVSM-UHFFFAOYSA-M Synonyme: 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 CID PubChem: 23661853 Nom IUPAC: lithium;2,2,2-trifluoroacetate SMILES: [Li+].[O-]C(=O)C(F)(F)F

Poids moléculaire (g/mol) 119.96
Synonyme 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
Numéro MDL MFCD00013216,MFCD00149663
CAS 2923-17-3
CID PubChem 23661853
Nom IUPAC lithium;2,2,2-trifluoroacetate
Clé InChI HSFDLPWPRRSVSM-UHFFFAOYSA-M
SMILES [Li+].[O-]C(=O)C(F)(F)F
Formule moléculaire C2F3LiO2
14

Chloroacetic anhydride, 97%

CAS: 541-88-8 Formule moléculaire: C4H4Cl2O3 Poids moléculaire (g/mol): 170.97 Numéro MDL: MFCD00000929 Clé InChI: PNVPNXKRAUBJGW-UHFFFAOYSA-N Synonyme: chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f CID PubChem: 10946 Nom IUPAC: (2-chloroacetyl) 2-chloroacetate SMILES: ClCC(=O)OC(=O)CCl

Poids moléculaire (g/mol) 170.97
Synonyme chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f
Numéro MDL MFCD00000929
CAS 541-88-8
CID PubChem 10946
Nom IUPAC (2-chloroacetyl) 2-chloroacetate
Clé InChI PNVPNXKRAUBJGW-UHFFFAOYSA-N
SMILES ClCC(=O)OC(=O)CCl
Formule moléculaire C4H4Cl2O3
15

Diethyl fluoromalonate, 97%

CAS: 685-88-1 Formule moléculaire: C7H11FO4 Poids moléculaire (g/mol): 178.159 Numéro MDL: MFCD00009139 Clé InChI: GOWQBFVDZPZZFA-UHFFFAOYSA-N Synonyme: diethyl fluoromalonate,diethyl 2-fluoromalonate,fluoromalonic acid diethyl ester,1,3-diethyl 2-fluoropropanedioate,diethylfluoromalonate,2-fluoro-malonic acid diethyl ester,diethyl2-fluoromalonate,diethyl fluoropropanedioate,propanedioic acid, fluoro-, diethyl ester,malonic acid, fluoro-, diethyl ester CID PubChem: 12702 Nom IUPAC: diethyl 2-fluoropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)F

Poids moléculaire (g/mol) 178.159
Synonyme diethyl fluoromalonate,diethyl 2-fluoromalonate,fluoromalonic acid diethyl ester,1,3-diethyl 2-fluoropropanedioate,diethylfluoromalonate,2-fluoro-malonic acid diethyl ester,diethyl2-fluoromalonate,diethyl fluoropropanedioate,propanedioic acid, fluoro-, diethyl ester,malonic acid, fluoro-, diethyl ester
Numéro MDL MFCD00009139
CAS 685-88-1
CID PubChem 12702
Nom IUPAC diethyl 2-fluoropropanedioate
Clé InChI GOWQBFVDZPZZFA-UHFFFAOYSA-N
SMILES CCOC(=O)C(C(=O)OCC)F
Formule moléculaire C7H11FO4