2,2-DIMETHYLPROPANE 新戊烷

CAS 463-82-1 MFCD00039840

化学结构图

463-82-1
SMILES: CC(C)(C)C

化学属性

Mol. FormulaC5H12
Mol. Weight72.17
Solubility不溶于水，溶于乙醇等。

别名和识别编码

Chemical Name2,2-DIMETHYLPROPANE
Synonym Neo-C5H12 2,2-DIMETHYLPROPANE neopentane Dimethylpropanol Neopentane 1,1,1-Trimethylethane Tetramethylcarbon propane,2,2-dimethyl- 2,2-Dimethylpropane 2,2-dimethyl-propane 2,2-二甲基丙烷 2,2-dimethylpropane neopentane dimethylpropane 2,2-dimethylpropane tert-Pentane 四甲基甲烷 Neopentan propane, 2,2-dimethyl- 2-2-Dimethylpropan 2,2-dimethyl-propan Tetramethylmethane 2-甲基异丁烷 Tetramethylmethan 新戊烷 2,2-Dimethylpropan tert-Pentane C5H12 (2,2-dimethyl-propane) 2,2-二甲基甲烷 C(CH3)4 (neopentane)
CAS Number463-82-1
EC Number207-343-7
MDL NumberMFCD00039840
Chemical Name Translation新戊烷
Wiswesser Line Notation1X1&1&1
Beilstein Registry Number1730722
PubChem Substance ID10041
InChIInChI=1S/C5H12/c1-5(2,3)4/h1-4H3
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分类

  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemi

安全信息

Hazard Codes F+,N
Hazard Class2.1
UN Number 2044
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R12 Extremely flammable 极端易燃
  • R51/53
Warnings 危化品目录(2015) 危险化学品
RTECSTY1190000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HINAAU Hindustan Antibiotics Bulletin.  (Hindustan Antibiotics, Ltd.,
   Pimpri, Poona, India) V.1-    1958-  Volume(issue)/page/year: 10,206,1968

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1097 gm/m3/2H
TOXIC EFFECTS :
   Behavioral - excitement
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 58,74,1936

其他信息

  • 外观性质:无色气体或极易挥发的液体。
  • MSDS 信息:新戊烷(463-82-1).msds
  • 职业标准:TWA 1500 毫克/立方米;STEL 2300 毫克/立方米
  • 毒性分级:低毒
  • 急性毒性:吸入-小鼠 LCL0: 1097 克/立方米/2小时; 腹腔-小鼠 LD50: 100毫克/公斤
  • 类别:易燃液体
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • MOL 文件:463-82-1.mol
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 爆炸物危险特性:与空气混合可爆
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放

系列性分类

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