p-chlorobenzenesulfonyl chloride

p-chlorobenzenesulfonyl chloride
Compound Structure:
Synonyms: 4-Chlorobenzenesulfonyl chloride ;98-60-2; 4-chlorobenzene-1-sulfonyl chloride; Benzenesulfonyl chloride, 4-chloro-; p-Chlorophenylsulfonyl chloride
Compound ID: NMPC-1379
PubChem ID:

7398
Molecular Formula: C6H4Cl2O2S
Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)Cl)Cl
InChIKey: ZLYBFBAHAQEEQQ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H335 (15.96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

211.06 g/mol

XLogP3

1.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

1

Exact Mass

209.9309059 g/mol

Monoisotopic Mass

209.9309059 g/mol

Topological Polar Surface Area

42.5Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

211

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

White solid;

Boiling Point

141 °C @ 15 MM HG

Melting Point

55 °C

Solubility 

VERY SOL IN ETHER & BENZENE

Vapor Pressure

0.00117 [mmHg]

Source: PubChem                        
Source Species: Eremomastax speciosa
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