CAS 19815-17-9 4-Chloro-7-nitroquinazoline (HCID 830680)

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Basic information

CAS: 19815-17-9
Standard SMILES: O=[N+]([O-])c1ccc2c(Cl)ncnc2c1
InChIKey: CCCGYXZEVXWXAU-UHFFFAOYSA-N
Molecular formula: C8H4ClN3O2
Average molar mass: 209.59 g/mol
Monoisotopic mass: 208.99920405

Names & identifiers

Preferred name: 4-Chloro-7-nitroquinazoline
IUPAC: 4-chloro-7-nitroquinazoline
English name: 4-Chloro-7-nitroquinazoline
Molecular formula: C8H4ClN3O2
Molecular weight: 209.59

Names & synonyms

4-chloro-7-nitroquinazoline19815-17-9DTXSID60356732RefChem:291934DTXCID30307791664-132-6Quinazoline, 4-chloro-7-nitro-4-chloro-7-nitro-quinazolineMFCD00033667SCHEMBL1438134AKOS000280198AB01539

Show more names

103281AKOS 911774-Chloro-7-nitro-quinazoline, 95+%

DS-1586SY022080EN300-51532AF-956/37360001Quinazoline,4-chloro-7-nitro-AM20030283FT-0651127A26735

Database identifiers

CAS: 19815-17-9
PubChem CID: 830680
DTXSID: DTXSID60356732
EC Number: 664-132-6

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: 146 · 146-147℃
Boiling point: 380 · 380.0±22.0 °C(Predicted)
Density: 1.566 · 1.566
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
pka: -0.33 · -0.33±0.70(Predicted)
Appearance: Light yellow to yellow Solid
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 335 · H335-H301-H315-H318
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS06
Hazard statements: H335-H301-H315-H318
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310