CAS 16588-06-0 4-Chloro-3-nitrobenzamide (HCID 27942)

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Basic information

CAS: 16588-06-0
Standard SMILES: NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: CGXRJCDXGJRBHV-UHFFFAOYSA-N
Molecular formula: C7H5ClN2O3
Average molar mass: 200.58 g/mol
Monoisotopic mass: 199.9988697

Names & identifiers

Preferred name: 4-Chloro-3-nitrobenzamide
IUPAC: 4-chloro-3-nitrobenzamide
English name: 4-Chloro-3-nitrobenzamide
Molecular formula: C7H5ClN2O3
Molecular weight: 200.58

Names & synonyms

4-Chloro-3-nitrobenzamideBENZAMIDE, 4-CHLORO-3-NITRO-3-Nitro-4-chlorobenzamide4-Chlor-3-nitrobenzamidEINECS 240-644-14-Chlor-3-nitrobenzamid [Czech]NSC 127825BRN 0645210DTXSID00660864-09-00-01227 (Beilstein Handbook Reference)RefChem:98442DTXCID5035327

Show more names

BUTTPARK 121\15-25

240-644-116588-06-0MFCD00017134A4JS3WES3XSCHEMBL64733-nitro-4-chloro-benzamide4-chloro-3-nitro-benzamideAKOS000200717

Database identifiers

CAS: 16588-06-0
PubChem CID: 27942
DTXSID: DTXSID0066086
ChEMBL: CHEMBL1977211
UNII: A4JS3WES3X
EC Number: 240-644-1
Nikkaji: J54.764F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 148 · 148-150°C
Boiling point: 315.6 · 315.6±27.0 °C(Predicted)
Density: 1.52 · 1.520±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 14.58 · 14.58±0.50(Predicted)
color: White to Yellow to Green
BRN: 645210 · 645210
CAS DataBase Reference: 16588 · 16588-06-0(CAS DataBase Reference)
FDA UNII: 4 JS3WES3X · A4JS3WES3X
EPA Substance Registry System: 4 · Benzamide, 4-chloro-3-nitro- (16588-06-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H303-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (93.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 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 Sens. 1 (93.1%)

Safety data

tsca: TSCA listed
rtecs: CV2465000
hs_code: 29242990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36-37
Hazard statements: H315-H319-H303-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313