4'-Bromobiphenyl-4-carbaldehyde - CAS 50670-58-1

Catalog:	BB027172
Product Name:	4'-Bromobiphenyl-4-carbaldehyde
CAS:	50670-58-1
Synonyms:	4-(4-bromophenyl)benzaldehyde; 4-(4-bromophenyl)benzaldehyde

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Computed Properties

IUPAC Name:	4-(4-bromophenyl)benzaldehyde
Description:	4'-Bromobiphenyl-4-carbaldehyde (CAS# 50670-58-1) is a reagent for the synthesis of zinc quaterphenylterpyridine complexes.
Molecular Weight:	261.11
Molecular Formula:	C13H9BrO
Canonical SMILES:	C1=CC(=CC=C1C=O)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C13H9BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
InChI Key:	AZDGDDGUHUQQMO-UHFFFAOYSA-N
Boiling Point:	374.1 ℃ at 760 mmHg
Density:	1.43 g/cm³
MDL:	MFCD05980925
LogP:	3.92860

Publication Number	Title	Priority Date
WO-2021116999-A1	Compounds and compositions for the treatment of tumors	20191211
CN-107903264-A	A kind of indole heterocyclic compounds and its organic luminescent device	20171114
CN-205944090-U	Humidity sensor	20150109
US-2017244049-A1	Organic light-emitting diode materials	20140514
CN-103436048-A	Double-bridge-chain organic dye using thiourea as donor and application thereof	20130808

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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+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.98368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.98368
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5