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CAS Number: 169205-77-0
N-(3-bromophenyl)-6-nitroquinazolin-4-amine

Structure

 N-(3-bromophenyl)-6-nitroquinazolin-4-amine
Name: N-(3-bromophenyl)-6-nitroquinazolin-4-amine
Synonyms:
General Information
Product Number: 169205770

CAS Registry Number 169205-77-0
Name:
4-?Quinazolinamine, N-?(3-?bromophenyl)?-?6-?nitro-
(3-Bromophenyl)(6-nitroquinazolin-4-yl)amine
4-[3-Bromophenylamino]-6-nitroquinazoline

 

Chemical Formula: C14H9BrN4O2
Exact Mass: 343.99
Molecular Weight: 345.15
m/z: 343.99 (100.0%), 345.99 (97.5%), 344.99 (16.6%), 346.99 (16.3%), 346.00 (1.5%), 348.00 (1.1%)

 

InChI:InChI=1S/C14H9BrN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18)

InChI Key:MAVKGSSRIBVAGI-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 267-270 °C   (4)CAS
Melting Point 267-270 °C   (5)CAS
Melting Point 267-270 °C Solv: acetic acid (64-19-7); ethyl ether (60-29-7) (2)CAS
Melting Point >250 °C (decomp)   (6)CAS

Specification

98%
References
  1. (2) Domarkas, Juozas; Journal of Medicinal Chemistry 2006, V49(12), P3544-3552 CAPLUS
  2. (4) Shaul, Mazal; Bioorganic & Medicinal Chemistry 2004, V12(13), P3421-3429 CAPLUS
  3. (5) Tsou, Hwei-Ru; Journal of Medicinal Chemistry 2001, V44(17), P2719-2734 CAPLUS
  4. (6) Albuschat, Rica; European Journal of Medicinal Chemistry 2004, V39(12), P1001-1011 CAPLUS
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