CAS 16555-60-5 Acetic acid, 2-((2-chlorobenzoyl)amino)- (HCID 177756)

Substructure search Find similar structures

Basic information

CAS: 16555-60-5
Standard SMILES: O=C(O)CNC(=O)c1ccccc1Cl
InChIKey: GVHWTQYNZUNGIA-UHFFFAOYSA-N
Molecular formula: C9H8ClNO3
Average molar mass: 213.62 g/mol
Monoisotopic mass: 213.0192708

Names & identifiers

Preferred name: Acetic acid, 2-((2-chlorobenzoyl)amino)-
IUPAC: 2-[(2-chlorobenzoyl)amino]acetic acid
English name: (2-Chloro-benzoylamino)-acetic acid
Molecular formula: C9H8ClNO3
Molecular weight: 213.62

Names & synonyms

16555-60-52-chlorohippuric acid2-[(2-chlorobenzoyl)amino]acetic acid2-((2-Chlorobenzoyl)amino)acetic acidDTXSID20167982RefChem:552065DTXCID4090473Acetic acid, 2-((2-chlorobenzoyl)amino)-665-071-82-(2-Chlorobenzamido)acetic acid2-Chloro Hippuric AcidGlycine, N-(2-chlorobenzoyl)-

Show more names

Ixazomib Impurity 86o-Chlorohippuric Acido-ChlorobenzoylglycineN-(o-Chlorobenzoyl)glycine2-(2-Chlorobenzamido)acetic acid - [G70082]

(2-Chloro-benzoylamino)-acetic acidN-(2-Chlorobenzoyl)glycineMFCD004578522-[(2-chlorophenyl)formamido]acetic acid(2-chlorobenzoyl)glycineCHEMBL8554N-(2-Chlorobenzoyl)-glycineAcetic acid, 2-((2-chlorobenzoyl)amino)-

Database identifiers

CAS: 16555-60-5
PubChem CID: 177756
DTXSID: DTXSID20167982
ChEMBL: CHEMBL8554
EC Number

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 179 · 179-181°C
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Chlorohippuric Acid is an N-benzoyl derivative with anticonvulsant and cardiotonic activity. 2-Chlorohippuric Acid is a metabolite of Isoprophenamine and Ticlopidine (T438325).