5-Bromo-2-chloroquinazoline - CAS 134517-33-2

Name: 5-Bromo-2-chloroquinazoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007945
Product Name:	5-Bromo-2-chloroquinazoline
CAS:	134517-33-2
Synonyms:	5-bromo-2-chloroquinazoline; 5-bromo-2-chloroquinazoline

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chloroquinazoline
Description:	5-Bromo-2-chloroquinazoline (CAS# 134517-33-2) is a useful research chemical.
Molecular Weight:	243.49
Molecular Formula:	C8H4BrClN2
Canonical SMILES:	C1=CC2=NC(=NC=C2C(=C1)Br)Cl
InChI:	InChI=1S/C8H4BrClN2/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-4H
InChI Key:	XJDPGQHSQGMWEV-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	3.04570

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Related Functional Groups

Quinazolines

[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[2891993-38-5]C8BrCl3F2N2
7-Bromo-2,4,6-trichloro-5,8-difluoroquinazoline
[959236-83-0]C9H5F3N2O3
8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione
[29113-33-5]C11H10N2O3
Ethyl 4-quinazolone-2-carboxylate
[37793-53-6]C16H11F3N6O4
N10-(Trifluoroacetyl)pteroic acid
[58421-80-0]C9H7ClN2
4-Chloro-8-methylquinazoline

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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

Publication Number	Title	Priority Date
WO-2015123355-A1	Substituted prolines / piperidines as orexin receptor antagonists	20140212
US-2014364432-A1	Substituted prolines / piperidines as orexin receptor antagonists	20120207
US-2014364433-A1	Substituted prolines / piperidines as orexin receptor antagonists	20120207
US-2017101410-A1	Substituted prolines / piperidines as orexin receptor antagonists	20120207
US-9440982-B2	Substituted prolines/piperidines as orexin receptor antagonists	20120207

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.92464
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.92464
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2