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Basic Information
CAS No.: 98-09-9
Name: Benzenesulfonyl chloride
Molecular Structure:
Molecular Structure of 98-09-9 (Benzenesulfonyl chloride)
Formula: C6H5ClO2S
Molecular Weight: 176.624
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: CorrosiveC
Risk Codes: 20/22-34-42/43-29
Safety: 23-26-36/37/39-45
Transport Information: UN 2225 8/PG 3
PSA: 42.52000
LogP: 2.69490
Synthetic route
98-11-3

benzenesulfonic acid

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With trichloroacetonitrile; triphenylphosphine In dichloromethane for 1h; Heating;100%
With thionyl chloride99%
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; potassium chloride at 25℃; for 0.0333333h; Neat (no solvent);95%
884-09-3

phenyl thiobenzoate

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With N-chloro-succinimide; ammonium chloride In water; acetonitrile at 0℃; for 0.333333h; pH=0 - 2;100%
1212-08-4

S-Phenyl benzenethiosulfonate

A

108-98-5

thiophenol

B

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With hydrogenchloride In waterA 100%
B 100%
108-98-5

thiophenol

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With thionyl chloride; dihydrogen peroxide In water; acetonitrile at 25℃; for 0.0166667h;99%
With dihydrogen peroxide; zirconium(IV) chloride In water; acetonitrile at 25℃; for 0.0166667h;98%
With N,N,N',N'-tetrachlorobenzene-1,3-disulphonamide; tetrabutyl-ammonium chloride; water In acetonitrile at 0 - 20℃; for 0.333333h;98%
882-33-7

diphenyldisulfane

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With N,N,N',N'-tetrachlorobenzene-1,3-disulphonamide; tetrabutyl-ammonium chloride; water In acetonitrile at 0 - 20℃; for 0.333333h;99%
With trichloroisocyanuric acid; tetrabutylammomium bromide; water In acetonitrile at 0 - 20℃; for 0.333333h;99%
With dihydrogen peroxide; trichlorophosphate In water at 25℃; for 0.5h; Micellar solution;96%
13509-39-2

methyl carbamothioic acid S-phenyl ester

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With hydrogenchloride; N-chloro-succinimide In acetonitrile at 10℃;96.6%
934-87-2

S-phenyl thioacetate

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With hydrogenchloride; N-chloro-succinimide In acetonitrile at 10℃; for 0.166667h;96.3%
831-91-4

Benzyl phenyl sulfide

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With hydrogenchloride; iodosylbenzene for 0.0833333h;96%
With hydrogenchloride; iodosylbenzene for 0.0833333h; Chlorination; oxidation;96%
With 1,3-dichloro-5,5-dimethylhydantoin; acetic acid In dichloromethane; water at 0 - 5℃; Inert atmosphere;90%
With N-chloro-succinimide In dichloromethane; benzyl alcohol for 18h; Ambient temperature;62%
515-42-4

sodium phenylsulfonate

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine; 18-crown-6 ether In acetone for 20h; Heating;94%
Stage #1: sodium phenylsulfonate With potassium phosphate; bis(trichloromethyl) carbonate In dichloromethane at 0 - 5℃; for 0.0833333h;
Stage #2: With triethylamine In dichloromethane at 20℃; for 0.5h;
91%
With phosphorus pentachloride Man giesst in Wasser und destilliert das hierbei sich abscheidende Benzolsulfochlorid mit Wasser unter vermindertem Druck;
13865-50-4

methoxymethyl phenyl sulfide

98-09-9

benzenesulfonyl chloride

Conditions
ConditionsYield
With water; chlorine In dichloromethane at 5 - 10℃; for 1h;94%
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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 CorrosiveC
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 .