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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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Keyword Search:
1 – 15 of 18 results
1

Cletoquine, TRC

CAS: 4298-15-1 Molecular Formula: C16 H22 Cl N3 O Molecular Weight (g/mol): 307.82 Synonym: Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]amino]-,Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]amino]- (7CI,8CI),2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]amino]ethanol,(±)-Desethylhydroxychloroquine,Cletoquine,Desethylhydroxychloroquine IUPAC Name: 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol SMILES: CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12

CAS 4298-15-1
Molecular Weight (g/mol) 307.82
SMILES CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12
Synonym Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]amino]-,Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]amino]- (7CI,8CI),2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]amino]ethanol,(±)-Desethylhydroxychloroquine,Cletoquine,Desethylhydroxychloroquine
IUPAC Name 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol
Molecular Formula C16 H22 Cl N3 O
2

Sodium Trifluoroacetate, TRC

CAS: 2923-18-4 Molecular Formula: C2 F3 O2 . Na Molecular Weight (g/mol): 136.01 Synonym: Acetic acid, 2,2,2-trifluoro-, sodium salt (1:1),Acetic acid, trifluoro-, sodium salt (8CI,9CI),Sodium 2,2,2-trifluoroacetate,Sodium perfluoroacetate,Sodium trifluoroacetate,Sodium trifluoromethanecarboxylate,Trifluoroacetate sodium,Trifluoroacetic acid, sodium salt,Trifluoroacetic Acid Sodium, Trifluoroacetic acid sodium,Sodium Trifluoroacetate,Sodium Trifluoroacetate IUPAC Name: sodium;2,2,2-trifluoroacetate SMILES: [Na+].[O-]C(=O)C(F)(F)F

CAS 2923-18-4
Molecular Weight (g/mol) 136.01
SMILES [Na+].[O-]C(=O)C(F)(F)F
Synonym Acetic acid, 2,2,2-trifluoro-, sodium salt (1:1),Acetic acid, trifluoro-, sodium salt (8CI,9CI),Sodium 2,2,2-trifluoroacetate,Sodium perfluoroacetate,Sodium trifluoroacetate,Sodium trifluoromethanecarboxylate,Trifluoroacetate sodium,Trifluoroacetic acid, sodium salt,Trifluoroacetic Acid Sodium, Trifluoroacetic acid sodium,Sodium Trifluoroacetate,Sodium Trifluoroacetate
IUPAC Name sodium;2,2,2-trifluoroacetate
Molecular Formula C2 F3 O2 . Na
3

Diiodoacetic Acid, TRC

CAS: 598-89-0 Molecular Formula: C2 H2 I2 O2 Molecular Weight (g/mol): 311.84 Synonym: 2,2-Diiodoacetic acid (ACI),Acetic acid, diiodo- (6CI, 9CI),Diiodoacetic acid IUPAC Name: 2,2-diiodoacetic acid SMILES: OC(=O)C(I)I

CAS 598-89-0
Molecular Weight (g/mol) 311.84
SMILES OC(=O)C(I)I
Synonym 2,2-Diiodoacetic acid (ACI),Acetic acid, diiodo- (6CI, 9CI),Diiodoacetic acid
IUPAC Name 2,2-diiodoacetic acid
Molecular Formula C2 H2 I2 O2
4

Dibromoacetic Acid, TRC

CAS: 631-64-1 Molecular Formula: C2 H2 Br2 O2 Molecular Weight (g/mol): 217.84 Synonym: Acetic acid, dibromo- (6CI,7CI,8CI,9CI),2,2-Dibromoacetic acid,DBAA,Dibromoacetic acid IUPAC Name: 2,2-dibromoacetic acid SMILES: OC(=O)C(Br)Br

CAS 631-64-1
Molecular Weight (g/mol) 217.84
SMILES OC(=O)C(Br)Br
Synonym Acetic acid, dibromo- (6CI,7CI,8CI,9CI),2,2-Dibromoacetic acid,DBAA,Dibromoacetic acid
IUPAC Name 2,2-dibromoacetic acid
Molecular Formula C2 H2 Br2 O2
5

Chloroacetic Acid, TRC

CAS: 79-11-8 Molecular Formula: C2 H3 Cl O2 Molecular Weight (g/mol): 94.5 Synonym: Acetic acid, chloro- (8CI,9CI),2-Chloroacetic acid,Chloracetic acid,Chloroacetic acid,Chloroethanoic acid,MCA,MCAA,MKhUK,Monochloroacetic acid,Monochloroethanoic acid,NSC 142,NSC 42970,α-Chloroacetic acid IUPAC Name: 2-chloroacetic acid SMILES: OC(=O)CCl

CAS 79-11-8
Molecular Weight (g/mol) 94.5
SMILES OC(=O)CCl
Synonym Acetic acid, chloro- (8CI,9CI),2-Chloroacetic acid,Chloracetic acid,Chloroacetic acid,Chloroethanoic acid,MCA,MCAA,MKhUK,Monochloroacetic acid,Monochloroethanoic acid,NSC 142,NSC 42970,α-Chloroacetic acid
IUPAC Name 2-chloroacetic acid
Molecular Formula C2 H3 Cl O2
6

Ethyl Trifluoroacetate, TRC

CAS: 383-63-1 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.08 Synonym: 2,2,2-Trifluoroacetic Acid Ethyl Ester,Ethyl Perfluoroacetate,Ethyl Trifluoroacetate,Ethyl alpha,alpha,alpha-Trifluoroacetate,NSC 220215,Trifluoroacetic Acid Ethyl Ester; IUPAC Name: ethyl 2,2,2-trifluoroacetate SMILES: CCOC(=O)C(F)(F)F

CAS 383-63-1
Molecular Weight (g/mol) 142.08
SMILES CCOC(=O)C(F)(F)F
Synonym 2,2,2-Trifluoroacetic Acid Ethyl Ester,Ethyl Perfluoroacetate,Ethyl Trifluoroacetate,Ethyl alpha,alpha,alpha-Trifluoroacetate,NSC 220215,Trifluoroacetic Acid Ethyl Ester;
IUPAC Name ethyl 2,2,2-trifluoroacetate
Molecular Formula C4H5F3O2
7

Dichloroacetic Acid, TRC

CAS: 79-43-6 Molecular Formula: C2 H2 Cl2 O2 Molecular Weight (g/mol): 128.94 Synonym: Acetic acid, dichloro- (5CI,8CI,9CI),2,2-Dichloroacetic acid,DCA,DCA (acid),DCAA,DKhUK,Dichloracetic acid,Dichlorethanoic acid,Dichloroacetic acid,Dichloroethanoic acid,NSC 2654 IUPAC Name: 2,2-dichloroacetic acid SMILES: OC(=O)C(Cl)Cl

CAS 79-43-6
Molecular Weight (g/mol) 128.94
SMILES OC(=O)C(Cl)Cl
Synonym Acetic acid, dichloro- (5CI,8CI,9CI),2,2-Dichloroacetic acid,DCA,DCA (acid),DCAA,DKhUK,Dichloracetic acid,Dichlorethanoic acid,Dichloroacetic acid,Dichloroethanoic acid,NSC 2654
IUPAC Name 2,2-dichloroacetic acid
Molecular Formula C2 H2 Cl2 O2
8

Iodoacetic Acid, TRC

CAS: 64-69-7 Molecular Formula: C2 H3 I O2 Molecular Weight (g/mol): 185.95 Synonym: 2-Iodoacetic acid (ACI),Acetic acid, iodo- (8CI, 9CI),CH2ICOOH,Iodoacetates,Iodoacetic acid,MIA,Monoiodoacetic acid,2-Iodoacetic acid (ACI),Acetic acid, iodo- (8CI, 9CI),CH2ICOOH,Iodoacetates,Iodoacetic acid,MIA,Monoiodoacetic acid IUPAC Name: 2-iodoacetic acid SMILES: OC(=O)CI

CAS 64-69-7
Molecular Weight (g/mol) 185.95
SMILES OC(=O)CI
Synonym 2-Iodoacetic acid (ACI),Acetic acid, iodo- (8CI, 9CI),CH2ICOOH,Iodoacetates,Iodoacetic acid,MIA,Monoiodoacetic acid,2-Iodoacetic acid (ACI),Acetic acid, iodo- (8CI, 9CI),CH2ICOOH,Iodoacetates,Iodoacetic acid,MIA,Monoiodoacetic acid
IUPAC Name 2-iodoacetic acid
Molecular Formula C2 H3 I O2
9

Ethyl Chloroacetate, TRC

CAS: 105-39-5 Molecular Formula: C4 H7 Cl O2 Molecular Weight (g/mol): 122.55 Synonym: Chloroacetic Acid-Ethyl Ester,Acetic acid, chloro-, ethyl ester (6CI,8CI,9CI),(Ethoxycarbonyl)methyl chloride,2-Chloroacetic acid ethyl ester,Chloroacetic acid ethyl ester,Ethyl 2-chloroacetate,Ethyl 2-monochloroacetate,Ethyl chloracetate,Ethyl chloroacetate,Ethyl chloroethanoate,Ethyl monochloracetate,Ethyl monochloroacetate,Ethyl α-chloroacetate,NSC 8833 IUPAC Name: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

CAS 105-39-5
Molecular Weight (g/mol) 122.55
SMILES CCOC(=O)CCl
Synonym Chloroacetic Acid-Ethyl Ester,Acetic acid, chloro-, ethyl ester (6CI,8CI,9CI),(Ethoxycarbonyl)methyl chloride,2-Chloroacetic acid ethyl ester,Chloroacetic acid ethyl ester,Ethyl 2-chloroacetate,Ethyl 2-monochloroacetate,Ethyl chloracetate,Ethyl chloroacetate,Ethyl chloroethanoate,Ethyl monochloracetate,Ethyl monochloroacetate,Ethyl α-chloroacetate,NSC 8833
IUPAC Name ethyl 2-chloroacetate
Molecular Formula C4 H7 Cl O2
10

Chloroiodoacetic Acid, TRC

CAS: 53715-09-6 Molecular Formula: C2 H2 Cl I O2 Molecular Weight (g/mol): 220.39 Synonym: 2-Chloro-2-iodoacetic acid (ACI),Acetic acid, chloroiodo- (6CI, 9CI),Chloroiodoacetic acid IUPAC Name: 2-chloro-2-iodoacetic acid SMILES: OC(=O)C(Cl)I

CAS 53715-09-6
Molecular Weight (g/mol) 220.39
SMILES OC(=O)C(Cl)I
Synonym 2-Chloro-2-iodoacetic acid (ACI),Acetic acid, chloroiodo- (6CI, 9CI),Chloroiodoacetic acid
IUPAC Name 2-chloro-2-iodoacetic acid
Molecular Formula C2 H2 Cl I O2
11

2,2-Dibromopropanoic Acid, TRC

CAS: 594-48-9 Molecular Formula: C3H4Br2O2 Molecular Weight (g/mol): 231.87 Synonym: 2,2-Dibromopropionic Acid; IUPAC Name: 2,2-dibromopropanoic acid SMILES: CC(Br)(Br)C(=O)O

CAS 594-48-9
Molecular Weight (g/mol) 231.87
SMILES CC(Br)(Br)C(=O)O
Synonym 2,2-Dibromopropionic Acid;
IUPAC Name 2,2-dibromopropanoic acid
Molecular Formula C3H4Br2O2
12

Diisopropylamine 2,2-Dichloroacetate, TRC

CAS: 660-27-5 Molecular Formula: C6H15N . C2H2Cl2O2 Molecular Weight (g/mol): 230.13 Synonym: Cubisol,DADA,DIEDI,DIPA,DIPA-DCA,Dapocel,Dedyl Diisopropylamine Dichloroethanoate,Diisopropylammonium Dichloroacetate,Diisopropylammonium Dichloroethanoate,Dipromonium,Disotat,IS 401,Kalodil,Krino B 15,Oxypangam,Tensicor,Vasculopatina,beta-Anoxin; IUPAC Name: 2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine SMILES: CC(C)NC(C)C.OC(=O)C(Cl)Cl

CAS 660-27-5
Molecular Weight (g/mol) 230.13
SMILES CC(C)NC(C)C.OC(=O)C(Cl)Cl
Synonym Cubisol,DADA,DIEDI,DIPA,DIPA-DCA,Dapocel,Dedyl Diisopropylamine Dichloroethanoate,Diisopropylammonium Dichloroacetate,Diisopropylammonium Dichloroethanoate,Dipromonium,Disotat,IS 401,Kalodil,Krino B 15,Oxypangam,Tensicor,Vasculopatina,beta-Anoxin;
IUPAC Name 2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine
Molecular Formula C6H15N . C2H2Cl2O2
13

Chloroacetic Acid-13C2, TRC

CAS: 1839-15-2 Molecular Formula: 13C2H3ClO2 Molecular Weight (g/mol): 96.48 Synonym: Monochloroacetic Acid-13C2,NSC 142-13C2,NSC 42970-13C2; IUPAC Name: 2-chloroacetic acid SMILES: O[13C]([13C]([H])([H])Cl)=O

CAS 1839-15-2
Molecular Weight (g/mol) 96.48
SMILES O[13C]([13C]([H])([H])Cl)=O
Synonym Monochloroacetic Acid-13C2,NSC 142-13C2,NSC 42970-13C2;
IUPAC Name 2-chloroacetic acid
Molecular Formula 13C2H3ClO2
14

Bromoacetic-1,2-13C2 Acid, TRC

CAS: 52947-00-9 Molecular Formula: 13C2 H3 Br O2 Molecular Weight (g/mol): 140.93 Synonym: Acetic-13C2 acid, bromo- (9CI),[1,2-13C2]Bromoacetic acid,Bromoacetic-1,2-13C acid,2-Bromoacetic-1,2-13C2 acid,Bromoacetic Acid-13C2 IUPAC Name: 2-bromoacetic acid SMILES: O[13C](=O)[13CH2]Br

CAS 52947-00-9
Molecular Weight (g/mol) 140.93
SMILES O[13C](=O)[13CH2]Br
Synonym Acetic-13C2 acid, bromo- (9CI),[1,2-13C2]Bromoacetic acid,Bromoacetic-1,2-13C acid,2-Bromoacetic-1,2-13C2 acid,Bromoacetic Acid-13C2
IUPAC Name 2-bromoacetic acid
Molecular Formula 13C2 H3 Br O2
15

Bromoacetic-1-13C Acid, TRC

CAS: 57858-24-9 Molecular Formula: 13C C H3 Br O2 Molecular Weight (g/mol): 139.94 Synonym: Acetic-1-13C acid, 2-bromo- (9CI),Bromoacetic acid-1-13C,2-Bromoacetic-1-13C acid,Bromoacetic-1-13C Acid IUPAC Name: 2-bromoacetic acid SMILES: O[13C](=O)CBr

CAS 57858-24-9
Molecular Weight (g/mol) 139.94
SMILES O[13C](=O)CBr
Synonym Acetic-1-13C acid, 2-bromo- (9CI),Bromoacetic acid-1-13C,2-Bromoacetic-1-13C acid,Bromoacetic-1-13C Acid
IUPAC Name 2-bromoacetic acid
Molecular Formula 13C C H3 Br O2