3-Sulfolene
Suppliers
Names
[ CAS No. ]:
77-79-2
[ Name ]:
3-Sulfolene
[Synonym ]:
2,5-Dihydrothiophene-1,1-dioxide
Sulfolene
MFCD00005481
2,5-dihydrothiophene dioxide
butadiene sulfone
EINECS 201-059-7
3-Sulfolene
2,5-Dihydrothiophene, 1,1-dioxide
Sulpholene
Thiophene, 2,5-dihydro-, 1,1-dioxide
2,5-dihydrothiophene 1,1-dioxide
Chemical & Physical Properties
[ Density]:
1.3±0.1 g/cm3
[ Boiling Point ]:
299.2±29.0 °C at 760 mmHg
[ Melting Point ]:
65 - 66ºC
[ Molecular Formula ]:
C4H6O2S
[ Molecular Weight ]:
118.154
[ Flash Point ]:
188.4±16.9 °C
[ Exact Mass ]:
118.008850
[ PSA ]:
42.52000
[ LogP ]:
-0.87
[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C
[ Index of Refraction ]:
1.527
[ Stability ]:
Stable, but decomposes above the melting point. Combustible. Incompatible with strong oxidizing agents.
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XM9100000
- CHEMICAL NAME :
- Thiophene, 2,5-dihydro-, 1,1-dioxide
- CAS REGISTRY NUMBER :
- 77-79-2
- BEILSTEIN REFERENCE NO. :
- 0107004
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C4-H6-O2-S
- MOLECULAR WEIGHT :
- 118.16
- WISWESSER LINE NOTATION :
- T5SW CUTJ
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 :
- 2830 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534337
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of esophagus
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534337
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1700 mg/kg
- TOXIC EFFECTS :
- Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 12,1568,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974
Safety Information
[ Symbol ]:
GHS05
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H318
[ Precautionary Statements ]:
P280-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xi
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S37-S39
[ RIDADR ]:
UN 3335
[ WGK Germany ]:
1
[ RTECS ]:
XM9100000
Articles
J. Pharm. Biomed. Anal. 100 , 215-29, (2014)
An effective screening procedure to identify and quantify active pharmaceutical substances in suspected illegal medicinal products is described. The analytical platform, consisting of accurate mass de...