CAS 16588-15-1 2-Chloro-5-nitrobenzamide (HCID 286562)

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Basic information

CAS: 16588-15-1
Standard SMILES: NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIKey: SDHXWAPVLOGAJR-UHFFFAOYSA-N
Molecular formula: C7H5ClN2O3
Average molar mass: 200.58 g/mol
Monoisotopic mass: 199.9988697

Names & identifiers

Preferred name: 2-Chloro-5-nitrobenzamide
IUPAC: 2-chloro-5-nitrobenzamide
English name: 2-Chloro-5-nitrobenzamide
Molecular formula: C7H5ClN2O3
Molecular weight: 200.58

Names & synonyms

2-chloro-5-nitrobenzamideDTXSID50301630RefChem:469427DTXCID00252764666-840-016588-15-1Benzamide, 2-chloro-5-nitro-MFCD000884202-chloro-5-nitro-benzamideNSC1450295-nitro-2-chlorobenzamide2-chloro-5-nitro benzamide

Show more names

LABOTEST-BB LT011478532-Chloro-5-nitrobenzamide 97%3-Carbamoyl-4-chloronitrobenzene2-chloro-5-nitrobenzamide - [AC77956]3-Carbamoyl-4-chloronitrobenzene, 3-(Aminocarbonyl)-4-chloronitrobenzene

SCHEMBL1789120SCHEMBL1803851SCHEMBL18722780SDHXWAPVLOGAJR-UHFFFAOYSA-NRAA58815SBB028149STK395640AKOS000160119

Database identifiers

CAS: 16588-15-1
PubChem CID: 286562
DTXSID: DTXSID50301630
EC Number: 666-840-0
Nikkaji: J29.500K

Properties

Computed structural properties

XLogP: 1.4
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: 178 °C · 178 °C
Boiling point: 299 · 299.0±25.0 °C(Predicted)
Density: 1.52 · 1.520±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.23 · 14.23±0.50(Predicted)
CAS DataBase Reference: 16588 · 16588-15-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-24/25
Hazard Note: Irritant
HS Code: 29242990 · 29242990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.