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| CAS No.: | 98-09-9 |
|---|---|
| Name: | Benzenesulfonyl chloride |
| Article Data: | 146 |
| Molecular Structure: | |
|
|
|
| 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: |
 C
|
| 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 |
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| Conditions | Yield |
|---|---|
| With trichloroacetonitrile; triphenylphosphine In dichloromethane for 1h; Heating; | 100% |
| With thionyl chloride | 99% |
| 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% |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; ammonium chloride In water; acetonitrile at 0℃; for 0.333333h; pH=0 - 2; | 100% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water | A 100% B 100% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With hydrogenchloride; N-chloro-succinimide In acetonitrile at 10℃; | 96.6% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; N-chloro-succinimide In acetonitrile at 10℃; for 0.166667h; | 96.3% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 
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 .