4-Bromo-4'-methylbiphenyl - CAS 50670-49-0

Catalog:	BB027171
Product Name:	4-Bromo-4'-methylbiphenyl
CAS:	50670-49-0
Synonyms:	1-bromo-4-(4-methylphenyl)benzene; 1-bromo-4-(4-methylphenyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-4-(4-methylphenyl)benzene
Description:	4-Bromo-4'-methylbiphenyl (CAS# 50670-49-0) is a useful research chemical.
Molecular Weight:	247.13
Molecular Formula:	C13H11Br
Canonical SMILES:	CC1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C13H11Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
InChI Key:	MYWLXURJCXISCT-UHFFFAOYSA-N
Boiling Point:	322.9 °C at 760 mmHg
Density:	1.32 g/cm³
Appearance:	White to off-white powder or crystalline powder
MDL:	MFCD00466236
LogP:	4.42450

Publication Number	Title	Priority Date
CN-113045373-A	Synthesis method of 4- (3-butene-1-yl) -4 '-alkyl-1, 1' -biphenyl liquid crystal monomer	20210312
CN-110483351-A	The method for preparing thioesters by oxo thioacetic acid compound	20190918
CN-110183333-B	Organic electroluminescent material and organic electroluminescent device containing same	20190619
WO-2020253445-A1	Organic electroluminescent material and organic electroluminescent device comprising same	20190619
US-2020390778-A1	Compounds and methods for treating oxalate-related diseases	20180223

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.00441
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.00441
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.4