Basic information
- Name:
Benzenesulfonyl chloride
- CAS No.:
98-09-9
- Molecular Structure:
- Formula:
- C6H5ClO2S
- Molecular Weight:
- 176.62
- Deleted CAS:
- 114415-79-1
- Synonyms:
- Benzenesulfochloride;Benzenesulfonic chloride;NSC 2864;Phenylsulfonyl chloride;
- EINECS:
- 202-636-6
- Density:
- 1.4 g/cm3
- Melting Point:
- 14.5 °C
- Boiling Point:
- 251.5 °C at 760 mmHg
- Flash Point:
- 105.9 °C
- Solubility:
- may decompose with water
- Appearance:
- clear liquid
- Hazard Symbols:
C- Risk Codes:
- 20/22-34-42/43-29
- Safety Description:
- 23-26-36/37/39-45 Details
- Transport Information:
- UN 2225 8/PG 3
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Chemistry
Product Name: Benzenesulfonyl chloride (CAS NO.98-09-9)
IUPAC Name: Benzenesulfonyl chloride
CAS NO: 98-09-9
Molecular Formula: C6H5ClO2S
Molecular Weight :176.6207
Molecular Structure :
EINECS: 202-636-6
Index of Refraction: 1.553
Surface Tension: 42.6 dyne/cm
Density: 1.4 g/cm3
Flash Point: 105.9 °C
Enthalpy of Vaporization: 46.9 kJ/mol
Boiling Point: 251.5 °C at 760 mmHg
Vapour Pressure: 0.0324 mmHg at 25°C
Melting point: 14.5 °C
Water Solubility: may decompose
Sensitive : Moisture Sensitive
Product Categories: Pharmaceutical Intermediates; Organics; Sulfonyl Halides; Sulfonyl HalidesDerivatization Reagents; Derivatization Reagents HPLC; Organic Building Blocks; Sulfur Compounds; UV-VIS;A-B, Puriss p.a.; Analytical Reagents for General Use; Puriss p.a.
Uses
Benzenesulfonyl chloride (CAS NO.98-09-9) is used for intermediates of medicines and dyes , mainly forsulfa drugs, is also used to identify a variety of amine.
Production
Benzene and Chlorosulfonic acid for reaction in 1:3 (mol) at 20 ~ 30°C about 2h, which are crude Benzene chloride, Benzenesulfonyl chloride (CAS NO.98-09-9) is obtained by the refining of the crude product.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 828mg/kg (828mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971. | |
| mouse | LD50 | oral | 828mg/kg (828mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971. | |
| rabbit | LD50 | oral | 828mg/kg (828mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(6), Pg. 19, 1971. | |
| rat | LCLo | inhalation | 1870mg/m3/1H (1870mg/m3) | SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Office of Toxic Substances Report. Vol. OTS0510391, |
| rat | LD50 | intraperitoneal | 76mg/kg (76mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Medycyna Pracy. Industrial Medicine. Vol. 20, Pg. 513, 1969. |
| rat | LD50 | oral | 1960mg/kg (1960mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Medycyna Pracy. Industrial Medicine. Vol. 20, Pg. 513, 1969. |
Safety Profile
Poison by intraperitoneal route. A dangerous storage hazard. It may explode in a sealed bottle. Explosive reaction with dimethyl sulfoxide. Reacts vigorously with methyl formamide. When heated to decomposition it emits toxic fumes of Cl− and SOx. See also SULFONATES.
Hazard Codes 
C
Risk Statements 20/22-34-42/43-29
R20/22:Harmful by inhalation and if swallowed.
R34:Causes burns.
R42/43:May cause sensitization by inhalation and skin contact.
R29:Contact with water liberates toxic gas.
Safety Statements 23-26-36/37/39-45
S23:Do not breathe vapour.
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.)
RIDADR UN 2225 8/PG 3
WGK Germany 1
RTECS DB8750000
F 21
HazardClass 8
PackingGroup III
Specification
Benzenesulfonyl chloride , its CAS NO. is 98-09-9, the synonyms are Benezenesulfochloride ; Benzene sulfonechloride .
