benzenesulfonyl chloride

benzenesulfonyl chloride
Compound Structure:
Synonyms: Phenylsulfonyl chloride;Benzene sulfochloride;Benzenesulfonic chloride;Benzene sulfonechloride;Benzenosulfochloride;Benzenesulfonic acid chloride;Benzenosulfochlorek;Benzenesulfochloride
Compound ID: NMPC-644
PubChem ID:

7369
Molecular Formula: C6H5ClO2S
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)Cl
InChIKey: CSKNSYBAZOQPLR-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H302 (98.72%): Harmful if swallowed [Warning Acute toxicity, oral]

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

• H317 (28.21%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H318 (26.92%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H319 (14.74%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H332 (27.56%): Harmful if inhaled [Warning Acute toxicity, inhalation]

• H334 (28.21%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

First Aid

For inhalation exposure, move the victim to fresh air immediately; start artificial respiration if they're not breathing and provide oxygen if breathing is difficult.

For eye or skin exposure, rinse with running water for at least 15 minutes, using soap and water for skin and possibly holding eyelids open for eyes. Remove and isolate contaminated clothing and shoes immediately.

In case of ingestion, if the victim is unconscious or having convulsions, only keep them warm and do not attempt other interventions.

Emergency guidelines include:

• Immediately call 911 or emergency medical services.

• Inform medical staff about the exposure and ensure they use protective measures.

• If safe, move the victim to fresh air and avoid mouth-to-mouth if there's risk of ingesting or inhaling the substance; use a pocket mask or a respiratory device for artificial respiration.

• Administer oxygen if there's difficulty breathing.

• Remove contaminated clothing and footwear.

• For any contact, flush the affected area with water for 20 minutes and carefully clean minor skin contacts to avoid spreading.

• Keep the victim calm and warm, monitoring for delayed exposure effects.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

176.62 g/mol

XLogP3

1.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

1

Exact Mass

175.9698783 g/mol

Monoisotopic Mass

175.9698783 g/mol

Topological Polar Surface Area

42.5Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

186

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

Benzenesulfonyl chloride appears as a colorless to slightly yellow solid that melts at approximately 40 °F. Very irritating to skin, eyes and mucous membranes. May emit toxic fumes when heated to high temperatures. Used to make dyes and other chemicals.

Boiling Point

484.7 °F at 760 mmHg (USCG, 1999)

Melting Point

58.1 °F (USCG, 1999)

Density

1.3842 at 59 °F (USCG, 1999)

Solubility 

INSOL IN water; SOL IN ETHER, ALCOHOL

Vapor Pressure

0.06 [mmHg]

Source: PubChem
Source Species: Eremomastax speciosa
Download SDF