6-Bromoquinazoline - CAS 89892-21-7

Catalog:	BB039678
Product Name:	6-Bromoquinazoline
CAS:	89892-21-7
Synonyms:	6-bromoquinazoline; 6-bromoquinazoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromoquinazoline
Description:	6-Bromoquinazoline (CAS# 89892-21-7) is a reagent for structure-based design of biaryl mannoside fimH inhibitors for use in urinary infection treatment.
Molecular Weight:	209.04
Molecular Formula:	C8H5BrN2
Canonical SMILES:	C1=CC2=NC=NC=C2C=C1Br
InChI:	InChI=1S/C8H5BrN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
InChI Key:	FLQBSQZDZFVMTO-UHFFFAOYSA-N
Boiling Point:	304.254 °C at 760 mmHg
Purity:	97.0 %
Density:	1.657 g/cm³
Appearance:	Solid
MDL:	MFCD08236695
LogP:	2.39230

Publication Number	Title	Priority Date
CN-113024435-A	Linbicyclic structure sigma-1 receptor inhibitors	20191209
WO-2020160134-A1	Acetamido derivatives as dna polymerase theta inhibitors	20190130
TW-201946629-A	MAT2A heterobicyclic inhibitor and method for treating cancer	20180330
WO-2019191470-A1	Heterobicyclic inhibitors of mat2a and methods of use for treating cancer	20180330
AU-2019243289-A1	Heterobicyclic inhibitors of MAT2A and methods of use for treating cancer	20180330

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Related Functional Groups

Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[37793-53-6]
N10-(Trifluoroacetyl)pteroic acid
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline
[67092-21-1]
2,5,6-Trichloroquinazoline
[690683-99-9]
2-Mercapto-3-(4-methylcyclohexyl)quinazolin-4(3H)-one
[79754-04-4]
6,7-Dimethoxyquinazolin-2(1H)-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.96361
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7