3-Chloro-4-(methylsulfonyl)aniline - CAS 23153-12-0

Catalog:	BB017955
Product Name:	3-Chloro-4-(methylsulfonyl)aniline
CAS:	23153-12-0
Synonyms:	3-chloro-4-methylsulfonylaniline; 3-chloro-4-methylsulfonylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-4-methylsulfonylaniline
Description:	3-Chloro-4-(methylsulfonyl)aniline (CAS# 23153-12-0) is a useful research chemical.
Molecular Weight:	205.66
Molecular Formula:	C7H8ClNO2S
Canonical SMILES:	CS(=O)(=O)C1=C(C=C(C=C1)N)Cl
InChI:	InChI=1S/C7H8ClNO2S/c1-12(10,11)7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChI Key:	VBEZMRJLMPYKBT-UHFFFAOYSA-N
Boiling Point:	423.015 °C at 760 mmHg
Density:	1.414 g/cm³
MDL:	MFCD08692449
LogP:	2.98770

Publication Number	Title	Priority Date
KR-20140025804-A	Substituted piperidine derivatives and preparation method thereof	20120822
CA-2873512-A1	Triazole compounds as antivirals	20120706
CN-104428289-B	As the triazole compounds of antivirotic	20120706
EP-2870143-A1	Triazole compounds as antivirals	20120706
EP-2870143-B1	Triazole compounds as antivirals	20120706

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Related Functional Groups

Amines and Anilines

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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:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.9964274
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.9964274
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9