2-Bromo-4-fluorobenzenesulfonamide - CAS 351003-60-6

Catalog:	BB022462
Product Name:	2-Bromo-4-fluorobenzenesulfonamide
CAS:	351003-60-6
Synonyms:	2-bromo-4-fluorobenzenesulfonamide

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Computed Properties

IUPAC Name:	2-bromo-4-fluorobenzenesulfonamide
Description:	2-Bromo-4-fluorobenzenesulfonamide (CAS# 351003-60-6 ) is a useful research chemical.
Molecular Weight:	254.08
Molecular Formula:	C6H5BrFNO2S
Canonical SMILES:	C1=CC(=C(C=C1F)Br)S(=O)(=O)N
InChI:	InChI=1S/C6H5BrFNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)
InChI Key:	FEUDPWHDKUOLBW-UHFFFAOYSA-N
Boiling Point:	360.9 °C at 760 mmHg
Density:	1.83 g/cm³
Appearance:	Solid
MDL:	MFCD03094290
LogP:	3.01670

Publication Number	Title	Priority Date
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Related Functional Groups

Sulfur Compounds

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[104496-91-5]
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[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2039-96-5]
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[832739-83-0]
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[862649-86-3]
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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.92084
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.92084
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3