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Name |
Benzenesulfonyl chloride |
EINECS | 202-636-6 |
CAS No. | 98-09-9 | Density | 1.4 g/cm3 |
PSA | 42.52000 | LogP | 2.69490 |
Solubility | may decompose with water | Melting Point |
14.5 °C |
Formula | C6H5ClO2S | Boiling Point | 251.5 °C at 760 mmHg |
Molecular Weight | 176.624 | Flash Point | 105.9 °C |
Transport Information | UN 2225 8/PG 3 | Appearance | clear liquid |
Safety | 23-26-36/37/39-45 | Risk Codes | 20/22-34-42/43-29 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Benzenesulfochloride;Benzenesulfonic chloride;NSC 2864;Phenylsulfonyl chloride; |
Article Data | 146 |
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% |
methyl carbamothioic acid S-phenyl ester
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; |
methoxymethyl phenyl sulfide
benzenesulfonyl chloride
Conditions | Yield |
---|---|
With water; chlorine In dichloromethane at 5 - 10℃; for 1h; | 94% |
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.
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.
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.
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. |
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
Benzenesulfonyl chloride , its CAS NO. is 98-09-9, the synonyms are Benezenesulfochloride ; Benzene sulfonechloride .