4-Cyanobenzenesulfonyl chloride - CAS 49584-26-1

Catalog:	BB026740
Product Name:	4-Cyanobenzenesulfonyl chloride
CAS:	49584-26-1
Synonyms:	4-cyanobenzenesulfonyl chloride

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Computed Properties

IUPAC Name:	4-cyanobenzenesulfonyl chloride
Description:	4-Cyanobenzenesulfonyl chloride (CAS# 49584-26-1) is a useful research chemical.
Molecular Weight:	201.63
Molecular Formula:	C7H4ClNO2S
Canonical SMILES:	C1=CC(=CC=C1C#N)S(=O)(=O)Cl
InChI:	InChI=1S/C7H4ClNO2S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4H
InChI Key:	DBMFYTQPPBBKHI-UHFFFAOYSA-N
Boiling Point:	333.9 °C at 760 mmHg
Melting Point:	107-111 °C
Purity:	95 %
Density:	1.53 g/cm³
Appearance:	White to yellow solid, powder or crystals
MDL:	MFCD00052337
LogP:	2.56658

Publication Number	Title	Priority Date
CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	20210608
CN-113024514-A	Aminodithioformate compound, preparation method thereof, pharmaceutical composition and application thereof	20210326
CN-112852112-A	Synergistic system epoxy resin composite material of phosphorus-containing ionic liquid and carbon nano material and preparation method thereof	20210303
CN-112679458-A	Sulfonic ester-containing myricetin derivative and preparation method and application thereof	20201215
CN-111943889-A	Bis-aryl amine compound and preparation method and application thereof	20200724

PMID	Publication Date	Title	Journal
11886292	20020301	Solid-phase synthesis of trisubsituted guanidines	Journal of combinatorial chemistry

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Related Functional Groups

Sulfur Compounds

[6633-90-5]
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[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
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[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole
[21124-33-4]
Ammonium diethyldithiocarbamate

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.9651272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.9651272
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7