1,2,3,4,5,6-Hexamethylbicyclo[2.2.0]hexa-2,5-diene 六甲基杜瓦苯

CAS 7641-77-2 MFCD00001337

化学结构图

7641-77-2
SMILES: CC1=C(C)C2(C)C(C)=C(C)C12C

化学属性

Mol. FormulaC12H18
Mol. Weight162.27
Refractive indexn20/D 1.448(lit.)
Boiling Point60 °C/20 mmHg(lit.)
Density0.803 g/mL at 25 °C(lit.)
Melting Point7 °C(lit.)

别名和识别编码

Chemical NameBicyclo(2.2.0)hexa-2,5-diene, hexamethyl-
Synonym 1,2,3,4,5,6-六甲基双环[2.2.0]己-2,5-二烯 {uni_hamburg} Hexamethyl-Dewar-Benzol 1,2,3,4,5,6-Hexamethylbicyclo[2.2.0]hexa-2,5-diene Hexamethyldewarbenzene 1,2,3,4,5,6-hexamethylbicyclo(2,2,0)hexa-2,5-diene Hexamethyl dewar benzene Hexamethyl-bicyclo[2.2.0]hexa-2,5-dien 六甲基杜瓦苯 2-Butin hexamethyl-dewar-benzol Hexamethyl-bicyclo(2.2.0)hexa-2,5-dien
MDL NumberMFCD00001337
CAS Number7641-77-2
PubChem Substance ID24278
EC Number231-576-3
Chemical Name Translation六甲基杜瓦苯
Wiswesser Line NotationL44 BU EUTJ A1 B1 C1 D1 E1 F1
InChIKeyRVNQQZMIWZPGNA-UHFFFAOYSA-N
InChIInChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; fused rings; 4ring; 6ring; 1fragment
  • {SNA} Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks

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: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDT7320000
Signal word Warning
Safety Statements
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • 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；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R10 Flammable 易燃
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg/15W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
   Blood - leukemia
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,100,1970

Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P303+P361+P353
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃

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