4-Chloro-7-methylquinazoline

HCID 21942014

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Basic information

CAS: 90272-83-6
Standard SMILES: Cc1ccc2c(Cl)ncnc2c1
InChIKey: OCHWJELTXIZAIN-UHFFFAOYSA-N
Molecular formula: C9H7ClN2
Average molar mass: 178.62 g/mol
Monoisotopic mass: 178.0297759

Names & identifiers

Preferred name: 4-Chloro-7-methylquinazoline
IUPAC: 4-chloro-7-methylquinazoline
English name: 4-Chloro-7-methyl-quinazoline
Molecular formula: C9H7ClN2
Molecular weight: 178.62

Names & synonyms

4-Chloro-7-methylquinazoline90272-83-6DTXSID10620490RefChem:291932DTXCID405712444-Chloro-7-methyl-QuinazolineMFCD10697149SCHEMBL856083AKOS006305780AB59114QUINAZOLINE,4-CHLORO-7-METHYL-DS-16574

Show more names

Quinazoline, 4-chloro-7-methyl-

CS-0098093Z1198277286FT-0709744SY130855DB-012514EN300-1301274F231289

Database identifiers

CAS: 90272-83-6
PubChem CID: 21942014
DTXSID: DTXSID10620490
EC Number: 876-889-1

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Boiling point: 298.2 · 298.2±20.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1.11 · 1.11±0.30(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-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.