2-Chlorothiophenol - CAS 6320-03-2

Catalog:	BB032050
Product Name:	2-Chlorothiophenol
CAS:	6320-03-2
Synonyms:	Benzenethiol, 2-chloro-; Benzenethiol, o-chloro-; (2-Chlorophenyl)thiol; 2-Chlorobenzene-1-thiol; NSC 32019; o-Chlorobenzenethiol; o-Chloromercaptobenzene; o-Chlorothiophenol

Technical Data

Safety and Hazards

Patents

Computed Properties

Related CAS:	1623130-97-1 (Deleted CAS)
IUPAC Name:	2-chlorobenzenethiol
Molecular Weight:	144.62
Molecular Formula:	C6H5ClS
Canonical SMILES:	C1=CC=C(C(=C1)S)Cl
InChI:	InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChI Key:	PWOBDMNCYMQTCE-UHFFFAOYSA-N
Boiling Point:	205.5°C
Purity:	≥95%
Density:	1.268±0.06 g/cm3
Appearance:	Clear Slightly Yellow Liquid
Storage:	Store at 2-8°C
MDL:	MFCD00004830
LogP:	2.62870

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Related Functional Groups

Sulfur Compounds

[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[6358-69-6]
8-Hydroxypyrene-1,3,6-trisulfonic acid trisodium salt
[1245808-44-9]
2-Butan-2-ylpyrazole-3-sulfonyl chloride
[13206-50-3]
2-Isopropyl-5,5-dimethylthiazolidine-4-carbonitrile

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:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.9800490
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.9800490
Rotatable Bond Count:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7