Thiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide 2,4-二甲基四氢噻吩1,1-二氧化物

CAS 1003-78-7 MFCD00005485

化学结构图

1003-78-7
SMILES: CC1CC(C)S(=O)(=O)C1

化学属性

Mol. FormulaC6H12O2S
Mol. Weight148.22
Refractive indexn20/D 1.473(lit.)
Density1.136 g/mL at 25 °C(lit.)
Boiling Point281 °C at 760 mmHg
Melting Point-3 °C
Flash Point294 °F

别名和识别编码

Chemical NameThiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide
Synonym 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothiophene 1,1-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dimethyltetrahydrothi
EC Number213-716-5
Beilstein Registry Number0111239
MDL NumberMFCD00005485
Chemical Name Translation2,4-二甲基四氢噻吩1,1-二氧化物
CAS Number1003-78-7
Wiswesser Line NotationT5SWTJ B1 D1
PubChem Substance ID70483
InChIInChI=1S/C6H12O2S/c1-5-3-6(2)9(7,8)4-5/h5-6H,3-4H2,1-2H3
Canonical SMILESCC1CC(C)S(=O)(=O)C1
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分类

  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 5ring; sulfone; 1fragment

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: III/47 Title: Optical Constants: Refractive Indices of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/47 Year: 2008 Keyword: binary liquid mixtures; inorganic liquid; optical constant; organic liquid; organoarsenic liquid; organoboron liquid; organometallic liquid; organophosphorus liquid; organosilicon liquid; organovanadic liquid; pure liquids; refractive index ISBN: 978-3-540-75289-9 (Print) ISBN: 978-3-540-75291-2 (Online) Internet Resource: DOI:10.1007/978-3-540-75291-2 RefComment: VII, 298 p., Hardcover RefComment: Written for scientists and engineers in the fields of physics, chemistry, and physical chemistry Abstract: This Landolt-Börnstein volume III/47 is a supplement to the volumes III/38 A/B "Optical Constants" and provides refractive index data published in the years 1995-2006. Included in this volume are refractive indices of inorganic, organometallic, organononmetallic, and organic liquids as well as their binary liquid mixtures at different wavelengths, temperatures, and pressures. Not all published data could be included in the printed version, but the electronic version contains

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
RTECSXN0525000
Precautionary statements
  • P301+P310
Signal word Danger
Hazard Codes T
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R25 Toxic if swallowed 吞咽有毒
UN Number UN 2810 6.1/PG 3 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,4,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 36 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   32,539,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 140 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,4,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 115 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,4,1961

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100

Storage condition

其他信息

  • MOL 文件:1003-78-7.mol
  • 图谱信息:2,4-二甲基环丁砜(1003-78-7)核磁图( 13 CNMR) 2,4-二甲基环丁砜(1003-78-7)质谱(MS) 2,4-二甲基环丁砜(1003-78-7)核磁图( 1 HNMR) 2,4-二甲基环丁砜(1003-78-7)红外图谱(IR1)

系列性分类

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