2-Chloro-6-nitro-p-toluidine

HCID 79595CAS 5465-33-8

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Basic information

Standard SMILES: Cc1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIKey: UGXUJYWOKLTNET-UHFFFAOYSA-N
Molecular formula: C7H7ClN2O2
Average molar mass: 186.59 g/mol
Monoisotopic mass: 186.01960514

Names & identifiers

Preferred name: 2-Chloro-6-nitro-p-toluidine
IUPAC: 2-chloro-4-methyl-6-nitroaniline
English name: 2-Chloro-4-methyl-6-nitro-phenylamine
Molecular formula: C7H7ClN2O2
Molecular weight: 186.6

Names & synonyms

2-Chloro-6-nitro-p-toluidineEINECS 226-768-9DTXSID90203109NSC 28974RefChem:469716DTXCID40125600226-768-92-chloro-4-methyl-6-nitroaniline5465-33-82-CHLORO-4-METHYL-6-NITRO-PHENYLAMINEMFCD08059084NSC28974

Show more names

1-ethyl-2-quinolinone2-Chloro-4-methyl-6-nitrobenzenamine2-Chloro-4-methyl-6-nitroaniline 95%

Benzenamine, 2-chloro-4-methyl-6-nitro-SCHEMBL85743652-chloro-4-methyl-6-nitro-anilineFAA46533NSC-28974AKOS017515336s10853(2-chloro-4-methyl-6-nitrophenyl)amine

Database identifiers

CAS: 5465-33-8
PubChem CID: 79595
DTXSID: DTXSID90203109
EC Number: 226-768-9
Nikkaji: J210.535G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 63 · 63-65
Boiling point: 307.6 · 307.6±37.0 °C(Predicted)
Density: 1.415 · 1.415±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: -1.62 · -1.62±0.25(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.