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5-Fluoro-2-methylbenzenesulfonyl chloride

5-Fluoro-2-methylbenzenesulfonyl chloride - CAS 445-05-6

Catalog:	BB025630
Product Name:	5-Fluoro-2-methylbenzenesulfonyl chloride
CAS:	445-05-6
Synonyms:	5-fluoro-2-methylbenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-fluoro-2-methylbenzenesulfonyl chloride
Description:	5-Fluoro-2-methylbenzenesulfonyl chloride (CAS# 445-05-6) is a useful research chemical.
Molecular Weight:	208.64
Molecular Formula:	C7H6ClFO2S
Canonical SMILES:	CC1=C(C=C(C=C1)F)S(=O)(=O)Cl
InChI:	InChI=1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
InChI Key:	NPEWBMJAUUSBLE-UHFFFAOYSA-N
Boiling Point:	131-172 °C (15 torr)
Density:	130 g/cm³
Appearance:	Clear colorless to yellow liquid
MDL:	MFCD00052958
LogP:	3.14240

Publication Number	Title	Priority Date
WO-2021165346-A1	Gcn2 modulator compounds	20200217
WO-2020210828-A1	(aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions	20190412
WO-2020148703-A1	Compounds and compositions for the treatment of cystic fibrosis	20190116
US-2020317660-A1	Quinazolinone Compound and Application Thereof	20171113
CN-105950093-A	Preparation method of graphene-based high-temperature bonding agent	20160621

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Sulfur Compounds

[123-43-3]
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[104496-91-5]
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[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[21124-33-4]
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[88778-21-6]
2-(2-Methoxyethoxy)ethanethiol

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

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.9761065
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.9761065
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4