2-(4-Bromophenyl)pyridine - CAS 63996-36-1

Catalog:	BB032341
Product Name:	2-(4-Bromophenyl)pyridine
CAS:	63996-36-1
Synonyms:	2-(4-bromophenyl)pyridine; 2-(4-bromophenyl)pyridine

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Computed Properties

IUPAC Name:	2-(4-bromophenyl)pyridine
Description:	2-(4-Bromophenyl)pyridine (CAS# 63996-36-1) is a useful research chemical.
Molecular Weight:	234.09
Molecular Formula:	C11H8BrN
Canonical SMILES:	C1=CC=NC(=C1)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C11H8BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
InChI Key:	FBQFCXDBCPREBP-UHFFFAOYSA-N
Boiling Point:	322.3 °C at 760 mmHg
Density:	1.426 g/cm³
MDL:	MFCD04116231
LogP:	3.51110

Publication Number	Title	Priority Date
CN-113336696-A	Preparation method of meta-allyl aromatic compound	20210608
CN-113264911-A	Compound, organic light-emitting material and organic electroluminescent device	20210430
CN-111499569-A	Method for simultaneously synthesizing 5-bromo-2-phenylpyridine and 2- (4-bromophenyl) pyridine in one step without metal catalysis	20200424
CN-111499569-B	Method for simultaneously synthesizing 5-bromo-2-phenylpyridine and 2- (4-bromophenyl) pyridine in one step without metal catalysis	20200424
WO-2021110720-A1	Metal complexes	20191204

PMID	Publication Date	Title	Journal
22199690	20111201	4-(4-Bromo-phen-yl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo-[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (50%): 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:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.98401
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.98401
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3