Aklomide

HCID 2075CAS 3011-89-0

Substructure search Find similar structures

Basic information

Standard SMILES: NC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIKey: GFGSZUNNBQXGMK-UHFFFAOYSA-N
Molecular formula: C7H5ClN2O3
Average molar mass: 200.58 g/mol
Monoisotopic mass: 199.9988697

Overview

2-chloro-4-nitrobenzamide is an organohalogen compound and a carbonyl compound.

Names & identifiers

Preferred name: Aklomide
IUPAC: 2-chloro-4-nitrobenzamide
English name: 2-Chloro-4-nitrobenzamide
Molecular formula: C7H5ClN2O3
Molecular weight: 200.58

Names & synonyms

aklomide2-Chloro-4-nitrobenzamide3011-89-0Benzamide, 2-chloro-4-nitro-AklomidumAclomidaDTXSID3041405NSC-191832B0E341RA20DTXCID1021405RefChem:553217221-143-7

Show more names

AkomideAklomide StandardC10049000 Aklomidecomponent of Novastat

AklomixClomideAlkomidecomponent of AklomixMFCD00017119component of Novastat-W2-CHLORO-4-NITRO BENZAMIDENSC 191832

Database identifiers

CAS: 3011-89-0
PubChem CID: 2075
DTXSID: DTXSID3041405
ChEMBL: CHEMBL1450565
ChEBI: CHEBI:109542
UNII: B0E341RA20
EC Number: 221-143-7
Nikkaji: J7.662G

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: 171 · 171-173°C
Boiling point: 335.8 · 335.8±32.0 °C(Predicted)
Density: 1.52 · 1.520±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: 250 mg/mL · DMSO: 250 mg/mL (1246.39 mM)
pka: 14.39 · 14.39±0.50(Predicted)
form: Solid
color: White to Light yellow
BRN: 1966537 · 1966537
Major Application: forensics and toxicologypharmaceutical (small molecule)
InChI: 1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11)
InChIKey: GFGSZUNNBQXGMK-UHFFFAOYSA-N
SMILES: NC(=O)c1ccc(cc1Cl)[N+]([O-])=O
CAS DataBase Reference: 3011 · 3011-89-0(CAS DataBase Reference)
FDA UNII: 0 E341RA20 · B0E341RA20
EPA Substance Registry System: 2 · 2-Chloro-4-nitrobenzamide (3011-89-0)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335-H301
Precautionary statements: 280 a-P301+P310a-P405-P501a-P261-P305+P351+P338 · P280a-P301+P310a-P405-P501a-P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.