4-Bromo-3-methylphenol - CAS 14472-14-1

Catalog:	BB009828
Product Name:	4-Bromo-3-methylphenol
CAS:	14472-14-1
Synonyms:	4-bromo-3-methylphenol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-bromo-3-methylphenol
Description:	4-Bromo-3-methylphenol (CAS# 14472-14-1) is a reactant in the preparation of biarylmethoxy nicotinamides as specific inhibitors of mycobacterium tuberculosis.
Molecular Weight:	187.03
Molecular Formula:	C7H7BrO
Canonical SMILES:	CC1=C(C=CC(=C1)O)Br
InChI:	InChI=1S/C7H7BrO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChI Key:	GPOQODYGMUTOQL-UHFFFAOYSA-N
Boiling Point:	142-145 ℃ (23 mmHg)
Melting Point:	57-61 ℃
Purity:	95 %
Appearance:	White to brown powder, crystals, crystalline powder and/or chunks
MDL:	MFCD00079723
LogP:	2.46310

Publication Number	Title	Priority Date
JP-6870778-B1	Resin composition for molding and electronic component equipment	20201211
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JP-2021116329-A	Resin composition for sealing, electronic component equipment, and manufacturing method of electronic component equipment	20200123

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Related Functional Groups

Oxygen Compounds

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[5724-76-5]
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[832740-55-3]
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[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic 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:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.96803
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.96803
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2