2-Amino-5-bromobenzenesulfonamide - CAS 54734-84-8

Catalog:	BB028807
Product Name:	2-Amino-5-bromobenzenesulfonamide
CAS:	54734-84-8
Synonyms:	2-amino-5-bromobenzenesulfonamide

Technical Data

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Computed Properties

IUPAC Name:	2-amino-5-bromobenzenesulfonamide
Description:	2-Amino-5-bromobenzenesulfonamide (CAS# 54734-84-8) is a useful research chemical.
Molecular Weight:	251.10
Molecular Formula:	C6H7BrN2O2S
Canonical SMILES:	C1=CC(=C(C=C1Br)S(=O)(=O)N)N
InChI:	InChI=1S/C6H7BrN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChI Key:	BGILQOXCWMHWOM-UHFFFAOYSA-N
Boiling Point:	424.4 °C at 760 mmHg
Density:	1.834 g/cm³
Appearance:	White to tan powder, crystals, crystalline powder and/or chunks
MDL:	MFCD03426835
LogP:	3.04100

Publication Number	Title	Priority Date
EP-3670490-A1	Method of purifying pine chemical compositions from aldehydes	20181126
US-2020165191-A1	Method of Purifying Pine Chemical Compositions from Aldehydes	20181126
US-10822302-B2	Method of purifying pine chemical compositions from aldehydes	20181126
CA-3073794-A1	Fused [1,2,4]thiadiazine derivatives which act as kat inhibitors of the myst family	20170831
WO-2019043139-A1	FUSED [1,2,4] THIADIAZINE DERIVATIVES AS KAT INHIBITORS OF THE MYST FAMILY	20170831

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.94116
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	249.94116
Rotatable Bond Count:	1
Topological Polar Surface Area:	94.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9