5-Cyano-2-bromobenzaldehyde - CAS 89003-95-2

Catalog:	BB039314
Product Name:	5-Cyano-2-bromobenzaldehyde
CAS:	89003-95-2
Synonyms:	4-bromo-3-formylbenzonitrile; 4-bromo-3-formylbenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-3-formylbenzonitrile
Description:	5-Cyano-2-bromobenzaldehyde (CAS# 89003-95-2) is a useful research chemical.
Molecular Weight:	210.03
Molecular Formula:	C8H4BrNO
Canonical SMILES:	C1=CC(=C(C=C1C#N)C=O)Br
InChI:	InChI=1S/C8H4BrNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
InChI Key:	BFXZVSRDZFPABM-UHFFFAOYSA-N
Boiling Point:	253.927 °C at 760 mmHg
Density:	1.659 g/cm³
Appearance:	Solid
MDL:	MFCD11858309
LogP:	2.13328

Publication Number	Title	Priority Date
KR-20190015681-A	Condensed-cyclic compound and organic light emitting device comprising the same	20170804
US-2019044072-A1	Condensed-cyclic compound and organic light-emitting device including the same	20170804
WO-2018156554-A1	1-HYDROXY-1,3-DIHYDROBENZO[c][1,2]OXABOROLES AND THEIR USE AS HERBICIDES	20170221
AU-2017330618-A1	TRPV4 antagonists	20160920
AU-2017330620-A1	TRPV4 antagonists	20160920

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.94763
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.94763
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8