4-Bromobenzenesulfonamide - CAS 701-34-8

Catalog:	BB034082
Product Name:	4-Bromobenzenesulfonamide
CAS:	701-34-8
Synonyms:	4-bromobenzenesulfonamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-bromobenzenesulfonamide
Description:	4-Bromobenzenesulfonamide (CAS# 701-34-8) is a useful research chemical.
Molecular Weight:	236.09
Molecular Formula:	C6H6BrNO2S
Canonical SMILES:	C1=CC(=CC=C1S(=O)(=O)N)Br
InChI:	InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChI Key:	STYQHICBPYRHQK-UHFFFAOYSA-N
Boiling Point:	360.7 °C at 760 mmHg
Melting Point:	163-167 °C
Purity:	98 %
Density:	1.754 g/cm³
Appearance:	Crystals
MDL:	MFCD00051977
LogP:	2.87760

Publication Number	Title	Priority Date
CN-113456351-A	Novel degradable tampon and preparation method thereof	20210811
CN-113358881-A	Biomarker for NMOSD prediction or recurrence monitoring and application thereof	20210810
KR-20210105855-A	Method of Manufacturing Cleansing Pad For Cosmetics According to Improvement of Natural Fiber Adhesion Method	20210809
KR-20210111188-A	Preparation method of biodegradable articles	20210730
CN-113501873-A	Protein binding molecules to RBV and uses thereof	20210707

PMID	Publication Date	Title	Journal
22424239	20120412	Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target	Journal of medicinal chemistry
21130650	20110101	Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II)	Bioorganic & medicinal chemistry letters
21577654	20090829	o-Toluene-sulfonamide: a redetermination	Acta crystallographica. Section E, Structure reports online
21577553	20090815	2-Chloro-benzene-sulfonamide	Acta crystallographica. Section E, Structure reports online
19320487	20090423	A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.93026
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.93026
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4