4-Chloro-6-nitroquinazoline

HCID 11356257CAS 19815-16-8

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc2ncnc(Cl)c2c1
InChIKey: LZOSFEDULGODDH-UHFFFAOYSA-N
Molecular formula: C8H4ClN3O2
Average molar mass: 209.59 g/mol
Monoisotopic mass: 208.99920405

Names & identifiers

Preferred name: 4-Chloro-6-nitroquinazoline
IUPAC: 4-chloro-6-nitroquinazoline
English name: 4-CHLORO-6-NITROQUINAZOLINE
Molecular formula: C8H4ClN3O2
Molecular weight: 209.59

Names & synonyms

4-Chloro-6-nitroquinazoline19815-16-8DTXSID10463364RefChem:291901DTXCID00414183972-052-04-chloro-6-nitro-quinazolineQUINAZOLINE, 4-CHLORO-6-NITRO-MFCD004642696-Nitro-4-chloroquinazolineSCHEMBL155127LZOSFEDULGODDH-UHFFFAOYSA-N

Show more names

4-Chloro-6-nitro-quizoline4-choro-6-nitroquinazolineQuinazoline,4-chloro-6-nitro-

CS-D03296-NITRO-4-CHLORO-QUINAZOLINEAKOS015918347AB06200AC-7407SB35117DS-10874SY006073

Database identifiers

CAS: 19815-16-8
PubChem CID: 11356257
DTXSID: DTXSID10463364
EC Number: 972-052-0
Nikkaji: J3.038.969G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 233

Physicochemical properties

Melting point: 128 °C · 128 °C
Boiling point: 380 · 380.0±22.0 °C(Predicted)
Density: 1.566 · 1.566±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Dichloromethane
form: Solid
pka: 0.14 · 0.14±0.50(Predicted)
color: Brown
CAS DataBase Reference: 19815 · 19815-16-8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

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.