(O-METHANESULFONYL)-4-BROMOPHENOL - CAS 68574-35-6

Catalog:	BB043807
Product Name:	(O-METHANESULFONYL)-4-BROMOPHENOL
CAS:	68574-35-6
Synonyms:	4-Bromophenyl methanesulfonate; SCHEMBL4609033; Phenol, 4-bromo-, 1-methanesulfonate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-bromophenyl) methanesulfonate
Description:	(O-METHANESULFONYL)-4-BROMOPHENOL (CAS# 68574-35-6 ) is a useful research chemical.
Molecular Weight:	251.10
Molecular Formula:	C7H7BrO3S
Canonical SMILES:	CS(=O)(=O)OC1=CC=C(C=C1)Br
InChI:	InChI=1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:	PJWZKEHXEQWESI-UHFFFAOYSA-N
Purity:	95 %

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[4860-03-1]
1-Chlorohexadecane
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1778-09-2]
4'-(Methylthio)acetophenone
[874-87-3]
4-(Methylthio)benzyl chloride
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.92993
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.92993
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9