4-Bromo-1-naphthoic acid - CAS 16650-55-8

Catalog:	BB012287
Product Name:	4-Bromo-1-naphthoic acid
CAS:	16650-55-8
Synonyms:	4-bromo-1-naphthalenecarboxylic acid; 4-bromonaphthalene-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-bromonaphthalene-1-carboxylic acid
Description:	4-Bromo-1-naphthoic acid (CAS# 16650-55-8) is a useful research chemical.
Molecular Weight:	251.08
Molecular Formula:	C11H7BrO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)O
InChI:	InChI=1S/C11H7BrO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H,13,14)
InChI Key:	FIJIPZQZVLCOMB-UHFFFAOYSA-N
Boiling Point:	408.8 °C at 760 mmHg
Density:	1.648 g/cm³
Appearance:	Solid
LogP:	3.30050

Publication Number	Title	Priority Date
CN-112778116-A	Preparation method of 1,4-naphthalenedicarboxylic acid	20201230
CN-112457267-A	Preparation method of isoxazoline insecticide	20201127
CN-111440137-A	3, 4-benzocoumarin derivative and preparation method and application thereof	20200428
CN-111410603-A	Benzanthrone derivative, preparation method thereof and application thereof in functional pigment	20200420
CN-112409223-A	Amide compounds and medical application thereof as STING inhibitor	20191012

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.96294
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.96294
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8