4-Bromo-1-naphthaldehyde - CAS 50672-84-9

Catalog:	BB027175
Product Name:	4-Bromo-1-naphthaldehyde
CAS:	50672-84-9
Synonyms:	4-bromo-1-naphthalenecarboxaldehyde; 4-bromonaphthalene-1-carbaldehyde

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-bromonaphthalene-1-carbaldehyde
Description:	4-Bromo-1-naphthaldehyde (CAS# 50672-84-9) is used in the synthesis and antimicrobial activity of chalcones and flavones.
Molecular Weight:	235.08
Molecular Formula:	C11H7BrO
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC=C2Br)C=O
InChI:	InChI=1S/C11H7BrO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-7H
InChI Key:	SESASPRCAIMYLA-UHFFFAOYSA-N
MDL:	MFCD11101026
LogP:	3.41480

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
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[70199-62-1]
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[1006443-01-1]
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[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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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:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.96803
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.96803
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3