chlorophenylsulfone

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Names

[ CAS No. ]:
98-09-9

[ Name ]:
chlorophenylsulfone

[Synonym ]:
Benzene sulfonyl chloride
MFCD00007426
chlorophenylsulfone
EINECS 202-636-6
Benzenesulfonic chloride
Benzenesulfochloride
Benzenesulfonyl chloride
Phenylsulfonyl chloride
Benzenesulphonyl chloride
Benzenesulfonic acid chloride

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
251.5±9.0 °C at 760 mmHg

[ Melting Point ]:
14.5 °C

[ Molecular Formula ]:
C6H5ClO2S

[ Molecular Weight ]:
176.621

[ Flash Point ]:
105.9±18.7 °C

[ Exact Mass ]:
175.969879

[ PSA ]:
42.52000

[ LogP ]:
1.99

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.554

[ Stability ]:
Stable. Incompatible with water, strong oxidizing agents, strong bases, methyl formamide, dimethyl sulfoxide.

[ Water Solubility ]:
may decompose

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DB8750000
CHEMICAL NAME :
Benzenesulfonyl chloride
CAS REGISTRY NUMBER :
98-09-9
BEILSTEIN REFERENCE NO. :
0606926
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C6-H5-Cl-O2-S
MOLECULAR WEIGHT :
176.62
WISWESSER LINE NOTATION :
WSGR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1960 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 20,513,1969
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1870 mg/m3/1H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - chromodacryorrhea Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
TSCAT* Office of Toxic Substances Report. (U.S. Environmental Protection Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460) Volume(issue)/page/year: OTS0510391
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
76 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
MEPAAX Medycyna Pracy. Industrial Medicine. (Ars-Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 20,513,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
828 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(6),19,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
828 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(6),19,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
828 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 36(6),19,1971 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1145 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 851 (estimated) No. of Female Employees: 187 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H332-H314-H317-H334

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R22;R29;R34

[ Safety Phrases ]:
S23-S26-S36/37/39-S45

[ RIDADR ]:
UN 2225 8/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
DB8750000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2904909090

Synthetic Route

Precursor & DownStream

Precursor

  • Thiophenol
  • Benzenesulfonic acid
  • Diphenyl disulfide
  • Benzyl(phenyl)sulfane
  • Sodium benzenesulfonate
  • Methoxymethyl Phenyl Sulfide
  • Methylthiocarbamic acid S-phenyl ester
  • S-Phenyl ethanethioate
  • Benzoic acid, thio-, S-phenyl ester
  • Benzenesulfonic acid,4-methyl-, phenyl ester

DownStream

  • 2-methyl-3-(phenylsulfonyl)indole
  • Benzenesulfonamide,N,N'-2,5-cyclohexadiene-1,4-diylidenebis-
  • (2-acetylphenyl) benzenesulfonate
  • 5-Bromo-3-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
  • 1-(benzenesulfonyl)-5-hexoxypyrrolidin-2-one
  • 1-(benzenesulfonyl)-5-cyclopentyloxypyrrolidin-2-one
  • 1-(benzenesulfonyl)-N-tert-butylindole-2-carboxamide
  • N-[(4-chlorophenyl)methyl]benzenesulfonamide
  • 1-(benzenesulfonyl)-5-butoxypyrrolidin-2-one
  • Benzenesulfonamide,N-phenyl-N-(phenylmethyl)-

Customs

[ HS Code ]: 2904909090

[ Summary ]:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Related Compounds

  • 4-chlorophenacyl-4-chlorophenylsulfone
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • (E)-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylamide
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 3-(3-Hydroxyphenyl)-2,4-dioxo-1,3-thiazolidine-5-carboxamide
  • Methyl 3-(2-morpholino-2-oxoethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 1-ethyl-6-(3-methoxybenzyl)-3-methyl-5-thioxo-1,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one