ChemicalBook--->CAS DataBase List--->4596-39-8

4596-39-8

4596-39-8 Structure

4596-39-8 Structure
IdentificationBack Directory
[Name]

4-(2-CHLOROACETAMIDO)BENZOIC ACID
[CAS]

4596-39-8
[Synonyms]

AKOS B029036
AKOS BBS-00003998
BUTTPARK 80\07-82
TIMTEC-BB SBB003412
LABOTEST-BB LT00452441
4-(2-CHLOROACETAMIDO)BENZOIC ACID
4-[(CHLOROACETYL)AMINO]BENZOIC ACID
4-(2-chloroethanoylamino)benzoic acid
4-(2-Chloro-acetylamino)-benzoic acid
Benzoic acid, 4-[(2-chloroacetyl)amino]-
4-[(2-chloro-1-oxoethyl)amino]benzoic acid
Benzoic acid (8CI), p-(2-chloroacetamido)-
Benzoic acid (9CI), 4-[(chloroacetyl)amino]-
[Molecular Formula]

C9H8ClNO3
[MDL Number]

MFCD00239393
[MOL File]

4596-39-8.mol
[Molecular Weight]

213.62
Chemical PropertiesBack Directory
[Melting point ]

264 °C (dec.) (lit.)
[Boiling point ]

468.8±30.0 °C(Predicted)
[density ]

1.458±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[solubility ]

Acetic Acid (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

4.27±0.10(Predicted)
[color ]

White to Off-White
[InChI]

1S/C9H8ClNO3/c10-5-8(12)11-7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)
[InChIKey]

FNXAWVZXABMYRM-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccc(NC(=O)CCl)cc1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Synthesis of 4-(2-Chloroacetamido)benzoic acid has been reported. It is reported as key intermediate in the synthesis of series of Matijing-Su (MTS, N-(N-benzoyl-L-phenylalanyl)-O-acetyl-L-phenylalanol) derivatives.
[General Description]

Synthesis of 4-(2-Chloroacetamido)benzoic acid has been reported. It is reported as key intermediate in the synthesis of series of Matijing-Su (MTS, N-(N-benzoyl-L-phenylalanyl)-O-acetyl-L-phenylalanol) derivatives.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-CHLOROACETAMIDO)BENZOIC ACID(4596-39-8)IR
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