Basic information
- Name:
Benzenesulfonic acid
- CAS No.:
98-11-3
- Molecular Structure:
- Formula:
- C6H6O3S
- Molecular Weight:
- 158.17
- Synonyms:
- 17-120A;Benzenemonosulfonic acid;Benzenesulfonic acid (surfactant);Benzenesulphonic acid;Besylic acid;Phenylsulfonic acid;Benzenesulfonic acid 70%;
- EINECS:
- 202-638-7
- Density:
- 1.409 g/cm3
- Melting Point:
- 30-60 °C
- Solubility:
- soluble in water
- Appearance:
- green solid
- Hazard Symbols:
C- Risk Codes:
- 22-34
- Safety Description:
- 26-36/37/39-45-36 Details
- Transport Information:
- UN 2583 8/PG 2
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Chemistry
Molecule structure of Benzenesulfonic acid (CAS NO.98-11-3):
IUPAC Name: Benzenesulfonic acid
Molecular Weight: 158.17504 g/mol
Molecular Formula: C6H6O3S
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
Uses
Benzenesulfonic acid (CAS NO.98-11-3) is used as an acidic catalyst in esterification and dehydration reactions.
Production
Benzenesulfonic acid is prepared from the aromatic sulfonation of benzene by concentrated sulfuric acid:
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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. |
Safety Profile
Hazard Codes: 
C
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
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.
