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 205 résultats

Potassium trifluoroacetate, 98%

CAS: 2923-16-2 Formule moléculaire: C2F3KO2 Poids moléculaire (g/mol): 152.11 Numéro MDL: MFCD00013215 Clé InChI: CUNPJFGIODEJLQ-UHFFFAOYSA-M Synonyme: 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 CID PubChem: 23662811 SMILES: [K+].[O-]C(=O)C(F)(F)F

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Poids moléculaire (g/mol)	152.11
Synonyme	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
Numéro MDL	MFCD00013215
CAS	2923-16-2
CID PubChem	23662811
Clé InChI	CUNPJFGIODEJLQ-UHFFFAOYSA-M
SMILES	[K+].[O-]C(=O)C(F)(F)F
Formule moléculaire	C2F3KO2

(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

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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

Ethyl hexafluoroglutaryl chloride, 97%, Thermo Scientific Chemicals

CAS: 18381-53-8 Formule moléculaire: C7H5ClF6O3 Poids moléculaire (g/mol): 286.55 Numéro MDL: MFCD00054671 Clé InChI: OLRXGDHRDQKNGW-UHFFFAOYSA-N CID PubChem: 161251 Nom IUPAC: 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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Poids moléculaire (g/mol)	286.55
Numéro MDL	MFCD00054671
CAS	18381-53-8
CID PubChem	161251
Nom IUPAC	ethyl 5-chloro-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
Clé InChI	OLRXGDHRDQKNGW-UHFFFAOYSA-N
SMILES	CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O
Formule moléculaire	C7H5ClF6O3

Ethyl chloroacetate, 99%

CAS: 105-39-5 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

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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

Chloroacetic acid sodium salt, 98%

CAS: 3926-62-3 Formule moléculaire: C₂H₂ClNaO₂ Poids moléculaire (g/mol): 116.48 Numéro MDL: MFCD00002684 Clé InChI: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonyme: 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 CID PubChem: 23665759 Nom IUPAC: sodium;2-chloroacetate SMILES: C(C(=O)[O-])Cl.[Na+]

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Poids moléculaire (g/mol)	116.48
Synonyme	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
Numéro MDL	MFCD00002684
CAS	3926-62-3
CID PubChem	23665759
Nom IUPAC	sodium;2-chloroacetate
Clé InChI	FDRCDNZGSXJAFP-UHFFFAOYSA-M
SMILES	C(C(=O)[O-])Cl.[Na+]
Formule moléculaire	C₂H₂ClNaO₂

(S)-(-)-2-Bromopropionic acid, 98%, >85% ee

CAS: 32644-15-8 Formule moléculaire: C₃H₅BrO₂ Poids moléculaire (g/mol): 152.98 Numéro MDL: MFCD00137325 Clé InChI: MONMFXREYOKQTI-REOHCLBHSA-N Synonyme: s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid CID PubChem: 642232 Nom IUPAC: (2S)-2-bromopropanoic acid SMILES: CC(C(=O)O)Br

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Poids moléculaire (g/mol)	152.98
Synonyme	s---2-bromopropionic acid,s-2-bromopropionic acid,2s-2-bromopropanoic acid,s-2-bromopropanoic acid,l-2-bromopropionic acid,s---2-bromopropionicacid,l-alpha-bromopropionic acid,2s---2-bromopropionic acid,s-alpha-bromopropionic acid
Numéro MDL	MFCD00137325
CAS	32644-15-8
CID PubChem	642232
Nom IUPAC	(2S)-2-bromopropanoic acid
Clé InChI	MONMFXREYOKQTI-REOHCLBHSA-N
SMILES	CC(C(=O)O)Br
Formule moléculaire	C₃H₅BrO₂

alpha,alpha-Difluorophenylacetic acid, 97%

CAS: 360-03-2 Formule moléculaire: C8H6F2O2 Poids moléculaire (g/mol): 172.131 Numéro MDL: MFCD00498146 Clé InChI: PFKSLFZFBCIJOI-UHFFFAOYSA-N CID PubChem: 726153 Nom IUPAC: 2,2-difluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)(F)F

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Poids moléculaire (g/mol)	172.131
Numéro MDL	MFCD00498146
CAS	360-03-2
CID PubChem	726153
Nom IUPAC	2,2-difluoro-2-phenylacetic acid
Clé InChI	PFKSLFZFBCIJOI-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C(C(=O)O)(F)F
Formule moléculaire	C8H6F2O2

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

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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

Ethyl fluoroacetate, 98%

CAS: 459-72-3 Formule moléculaire: C4H7FO2 Poids moléculaire (g/mol): 106.096 Numéro MDL: MFCD00000450 Clé InChI: VCYZVXRKYPKDQB-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 9988 Nom IUPAC: ethyl 2-fluoroacetate SMILES: CCOC(=O)CF

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Poids moléculaire (g/mol)	106.096
Synonyme	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
Numéro MDL	MFCD00000450
CAS	459-72-3
CID PubChem	9988
Nom IUPAC	ethyl 2-fluoroacetate
Clé InChI	VCYZVXRKYPKDQB-UHFFFAOYSA-N
SMILES	CCOC(=O)CF
Formule moléculaire	C4H7FO2

Chloroacetic acid, 99+%, ACS reagent

CAS: 79-11-8 Formule moléculaire: C₂H₃ClO₂ Poids moléculaire (g/mol): 94.5 Clé InChI: FOCAUTSVDIKZOP-UHFFFAOYSA-N Synonyme: chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure CID PubChem: 300 ChEBI: CHEBI:27869 Nom IUPAC: 2-chloroacetic acid SMILES: C(C(=O)O)Cl

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Poids moléculaire (g/mol)	94.5
Synonyme	chloroacetic acid,monochloroacetic acid,chloracetic acid,acetic acid, chloro,acide chloracetique,chloroethanoic acid,monochloroethanoic acid,monochloracetic acid,monochloorazijnzuur,monochloressigsaeure
CAS	79-11-8
CID PubChem	300
ChEBI	CHEBI:27869
Nom IUPAC	2-chloroacetic acid
Clé InChI	FOCAUTSVDIKZOP-UHFFFAOYSA-N
SMILES	C(C(=O)O)Cl
Formule moléculaire	C₂H₃ClO₂

Lead(II) trifluoroacetate hemihydrate, Thermo Scientific Chemicals

CAS: 4146-73-0 Formule moléculaire: C4F6O4Pb Poids moléculaire (g/mol): 433.23 Numéro MDL: MFCD00061594 Clé InChI: XVULNTYAIWEMSW-UHFFFAOYSA-L Synonyme: lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii CID PubChem: 71311182 Nom IUPAC: 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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Poids moléculaire (g/mol)	433.23
Synonyme	lead trifluoroacetate,lead ii 2,2,2-trifluoroacetate,acmc-1asut,bis trifluoroacetoxy lead ii
Numéro MDL	MFCD00061594
CAS	4146-73-0
CID PubChem	71311182
Nom IUPAC	lead(2+);2,2,2-trifluoroacetate
Clé InChI	XVULNTYAIWEMSW-UHFFFAOYSA-L
SMILES	C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pb+2]
Formule moléculaire	C4F6O4Pb

2,2-Difluoropropionic acid, 97%, Thermo Scientific Chemicals

CAS: 373-96-6 Formule moléculaire: C3H4F2O2 Poids moléculaire (g/mol): 110.06 Numéro MDL: MFCD03093764 Clé InChI: PMWGIVRHUIAIII-UHFFFAOYSA-N Synonyme: 2,2-difluoropropionic acid,2,2-difluoropropionicacid,2,2-difluoro-propionic acid,propanoic acid, 2,2-difluoro,acmc-1ctsu,2,2-difluorpropionic acid CID PubChem: 2782825 Nom IUPAC: 2,2-difluoropropanoic acid SMILES: CC(F)(F)C(O)=O

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Poids moléculaire (g/mol)	110.06
Synonyme	2,2-difluoropropionic acid,2,2-difluoropropionicacid,2,2-difluoro-propionic acid,propanoic acid, 2,2-difluoro,acmc-1ctsu,2,2-difluorpropionic acid
Numéro MDL	MFCD03093764
CAS	373-96-6
CID PubChem	2782825
Nom IUPAC	2,2-difluoropropanoic acid
Clé InChI	PMWGIVRHUIAIII-UHFFFAOYSA-N
SMILES	CC(F)(F)C(O)=O
Formule moléculaire	C3H4F2O2

2-Bromo-3-fluoropropionic acid, 96%, Thermo Scientific Chemicals

CAS: 16652-36-1 Formule moléculaire: C3H4BrFO2 Poids moléculaire (g/mol): 170.97 Numéro MDL: MFCD09800640 Clé InChI: FBPUCVAAEPPEMG-UHFFFAOYNA-N Synonyme: 2-bromo-3-fluoropropionic acid,acmc-20ao2z,3-fluoro-2-bromo-propionic acid CID PubChem: 316511 Nom IUPAC: 2-bromo-3-fluoropropanoic acid SMILES: OC(=O)C(Br)CF

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Poids moléculaire (g/mol)	170.97
Synonyme	2-bromo-3-fluoropropionic acid,acmc-20ao2z,3-fluoro-2-bromo-propionic acid
Numéro MDL	MFCD09800640
CAS	16652-36-1
CID PubChem	316511
Nom IUPAC	2-bromo-3-fluoropropanoic acid
Clé InChI	FBPUCVAAEPPEMG-UHFFFAOYNA-N
SMILES	OC(=O)C(Br)CF
Formule moléculaire	C3H4BrFO2

Diethyl 2-bromo-2-methylmalonate, 98%

CAS: 29263-94-3 Formule moléculaire: C8H13BrO4 Poids moléculaire (g/mol): 253.09 Numéro MDL: MFCD00009125 Clé InChI: CSLQAXTUGPUBCW-UHFFFAOYSA-N Synonyme: diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate CID PubChem: 94944 Nom IUPAC: diethyl 2-bromo-2-methylpropanedioate SMILES: CCOC(=O)C(C)(Br)C(=O)OCC

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Poids moléculaire (g/mol)	253.09
Synonyme	diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate
Numéro MDL	MFCD00009125
CAS	29263-94-3
CID PubChem	94944
Nom IUPAC	diethyl 2-bromo-2-methylpropanedioate
Clé InChI	CSLQAXTUGPUBCW-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C)(Br)C(=O)OCC
Formule moléculaire	C8H13BrO4

Ethyl difluoroacetate, 98%

CAS: 454-31-9 Formule moléculaire: C4H6F2O2 Poids moléculaire (g/mol): 124.087 Numéro MDL: MFCD00013578 Clé InChI: GZKHDVAKKLTJPO-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 9961 Nom IUPAC: ethyl 2,2-difluoroacetate SMILES: CCOC(=O)C(F)F

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Poids moléculaire (g/mol)	124.087
Synonyme	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
Numéro MDL	MFCD00013578
CAS	454-31-9
CID PubChem	9961
Nom IUPAC	ethyl 2,2-difluoroacetate
Clé InChI	GZKHDVAKKLTJPO-UHFFFAOYSA-N
SMILES	CCOC(=O)C(F)F
Formule moléculaire	C4H6F2O2

Alpha-halocarboxylic acids and derivatives

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