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Benzenesulfonic acid

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Benzenesulfonic acid

EINECS 202-638-7
CAS No. 98-11-3 Density 1.409 g/cm3
Solubility soluble in water Melting Point 30-60 °C
Formula C6H6O3S Boiling Point
Molecular Weight 158.17 Flash Point
Transport Information UN 2583 8/PG 2 Appearance green solid
Safety 26-36/37/39-45-36 Risk Codes 22-34
Molecular Structure Molecular Structure of 98-11-3 (Benzenesulfonic acid) Hazard Symbols CorrosiveC
Synonyms

17-120A;Benzenemonosulfonic acid;Benzenesulfonic acid (surfactant);Benzenesulphonic acid;Besylic acid;Phenylsulfonic acid;Benzenesulfonic acid 70%;

 

Benzenesulfonic acid Chemical Properties

Molecule structure of Benzenesulfonic acid (CAS NO.98-11-3):

IUPAC Name: Benzenesulfonic acid 
Molecular Weight: 158.17504 g/mol
Molecular Formula: C6H6O3
Index of Refraction: 1.575
Molar Refractivity: 37.1 cm3
Molar Volume: 112.2 cm3
Surface Tension: 51.2 dyne/cm
Density: 1.409 g/cm3 
Melting Point: 30-60 °C
Boiling Point: 137 °C
Flash Point: >230 °F
Water Solubility: soluble
Sensitive: hygroscopic
Stability: stable. incompatible with strong oxidizing agents, bases, many organic compounds.
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 158.003765
MonoIsotopic Mass: 158.003765
Topological Polar Surface Area: 54.4
Heavy Atom Count: 10
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)O
InChI: InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKey: SRSXLGNVWSONIS-UHFFFAOYSA-N
EINECS: 202-638-7
Product Categories: Intermediates of Dyes and Pigments;Organic AcidsOrganic Building Blocks;Sulfonic/Sulfinic Acids;Sulfur Compounds;Chemical Synthesis;Organic Acids;Synthetic Reagents

Benzenesulfonic acid Uses

 Benzenesulfonic acid (CAS NO.98-11-3) is used as an acidic catalyst in esterification and dehydration reactions.

Benzenesulfonic acid Production

 Benzenesulfonic acid is prepared from the aromatic sulfonation of benzene by concentrated sulfuric acid:

Benzenesulfonic acid Toxicity Data With Reference

 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
 
cat LDLo skin 10gm/kg (10000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 358, 1945.
rat LD50 oral 890uL/kg (0.89mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
 

Benzenesulfonic acid Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 22-34 
R22:Harmful if swallowed. 
R34:Causes burns.
Safety Statements: 26-36/37/39-45-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36:Wear suitable protective clothing.
RIDADR: UN 2583 8/PG 2
WGK Germany: 1
RTECS: DB4200000
HazardClass: 8
PackingGroup: III
HS Code: 29041000

Benzenesulfonic acid Specification

 Benzenesulfonic acid (CAS NO.98-11-3) is also named as 17-120A ; 4-11-00-00027 (Beilstein Handbook Reference) ; AI3-15297 ; BRN 0742513 ; Benzene sulphonic acid ; Benzenemonosulfonic acid ; Besylic acid ; CCRIS 4595 ; HSDB 2642 ; Kyselina benzensulfonova ; Kyselina benzensulfonova [Czech] ; Phenylsulfonic acid ; UNII-685928Z18A . Benzenesulfonic acid (CAS NO.98-11-3) is green solid. It is soluble in water and ethanol, insoluble in ether and carbon disulfide, slightly soluble in benzene. Benzenesulfonic acid reacts with bases and many organic compounds. Flash point data for Benzenesulfonic acid are not available, however it is probably combustible.

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