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Home> Hot Product Listed T   > Thiophene,tetrahydro-2,4-dimethyl-, 1,1-dioxide
612541-15-8 structure

Thiophene,tetrahydro-2,4-dimethyl-, 1,1-dioxide

Iupac Name:2-cyano-5-fluorobenzenesulfonyl chloride
CAS No.:612541-15-8
Molecular Weight:219.614
Molecular Formula:C13H22O (isomer)
Properties
Appearance
clear light brown liquid.
Boiling Point
°Cat760mmHg
Safety and Handling
Safety

Poison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic by skin contact. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use water, foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of SOx. See also SULFATES.Safety information of 2,4-Dimethylthiolane 1,1-dioxide (CAS NO.1003-78-7):
Hazard Codes  ToxicT
Risk Statements 
25 Toxic if swallowed
36/37/38 Irritating to eyes, respiratory system and skin 
Safety Statements 
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39 Wear suitable protective clothing, gloves and eye/face protection
45 In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
RTECS  XN0525000

Toxicity
1.    

orl-rat LDLo:100 mg/kg

    SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
2.    

orl-mus LD50:140 mg/kg

    SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
3.    

ipr-mus LD50:72 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 32 (1971),539.
4.    

ivn-mus LD50:61 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 32 (1971),539.
5.    

orl-rbt LD50:115 mg/kg

    SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
6.    

skn-rbt LDLo:3600 mg/kg

    SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
7.    

ivn-rbt LD50:36 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 32 (1971),539.
Computational chemical data
  • Molecular Weight:219.614g/mol
  • Molecular Formula:C13H22O
  • Compound Is Canonicalized:True
  • Exact Mass:218.956
  • Monoisotopic Mass:218.956
  • Complexity:328
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.3A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcQBiMQBEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQQAAAAADACBWAgwAYAAAAKQ BiBCAHBiAAAgAAAIiBgAAIgIoCKAERCAIAAggAAIiA8AgAAOAAAAAAAEAAAAAAAAAAgAAAAAAAAA AA==
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