8-Bromo-2-chloroquinazolin-4-amine

HCID 13785877

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Basic information

CAS: 956100-62-2
Standard SMILES: Nc1nc(Cl)nc2c(Br)cccc12
InChIKey: FRWKIQGVGJPSFF-UHFFFAOYSA-N
Molecular formula: C8H5BrClN3
Average molar mass: 258.5 g/mol
Monoisotopic mass: 256.93553694

Names & identifiers

Preferred name: 8-Bromo-2-chloroquinazolin-4-amine
IUPAC: 8-bromo-2-chloroquinazolin-4-amine
English name: 4-Amino-8-bromo-2-chloroquinazoline
Molecular formula: C8H5BrClN3
Molecular weight: 258.5

Names & synonyms

8-bromo-2-chloroquinazolin-4-amine956100-62-2DTXSID30549437RefChem:311815DTXCID90500221959-532-54-Amino-8-bromo-2-chloroquinazolineMFCD118582752-Chloro-4-Amino-8-BromoquinazolineSCHEMBL558306AKOS015834730CS-W006651

Show more names

8-Bromo-2-chloro-4-quinazolinamine4-Quinazolinamine, 8-bromo-2-chloro-8-Bromo-2-chloro-quinazolin-4-ylamine

GS-4342SB74063EN300-3098584FT-0714777SCHEMBL29663394AS4158-bromo-2-chloro-quinazolin-4-amineSY056895

Database identifiers

CAS: 956100-62-2
PubChem CID: 13785877
DTXSID: DTXSID30549437
EC Number: 959-532-5

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 192

Physicochemical properties

Boiling point: 369.7 · 369.7±24.0 °C(Predicted)
Density: 1.841 · 1.841±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.1 · 3.10±0.30(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501