1,4-Di-tert-butylbenzene 对二叔丁基苯

CAS 1012-72-2 MFCD00008836

化学结构图

1012-72-2
SMILES: CC(C)(C)c1ccc(C(C)(C)C)cc1

化学属性

Mol. FormulaC14H22
Mol. Weight190.32
Density0.985
Boiling Point236 °C at 760 mmHg
Melting Point76-78 °C
TSCAYes
Flash Point236°C
Appearance crystalline 白色晶体,熔点 76-79°C ,沸点 236°C

别名和识别编码

Chemical Name1,4-Di-tert-butylbenzene
Synonym 1,4-Di-tert-butylbenzene {LY} 1,4-Di-tert-butylbenzene {} {LY} 1,4-Di-tert-butylbenzene {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,4-Di-tert-butylbenzene {} {} {} {} {} {} {} {} {} {}
CAS Number1012-72-2
EC Number213-790-9
Beilstein Registry Number5(4)1163
MDL NumberMFCD00008836
PubChem Substance ID13895
Chemical Name Translation对二叔丁基苯
Reaxys-RN1617000
LabNetwork Molecule IDLN00200084
InChIInChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
Canonical SMILESCC(C1=CC=C(C(C)(C)C)C=C1)(C)C
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分类

  • {SNA} Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: o

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • 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
  • R50/53
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
RTECSCY8444000
Hazard statements
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Eyeshields, Gloves
Hazard Codes
UN Number UN 3077 9/PG 3
Packing GroupIII
Hazard Class9
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 mL/kg
TOXIC EFFECTS :
   Liver - other changes
REFERENCE :
   AMIHAB AMA Archives of Industrial Health.  (Chicago, IL)  V.11-21, 1955-60.
   For publisher information, see AEHLAU.  Volume(issue)/page/year: 19,403,1959

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:1012-72-2.mol
  • 对二叔丁基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2111 1,4-二叔丁基苯 1,4-Di-tert-butylbenzene 25G 1310元 2010/06/21 151050050 对二叔丁基苯 1,4-Di-tert-butylbenzene 99% 5 GR 523元 2010/06/21 151050250 对二叔丁基苯 1,4-Di-tert-butylbenzene 99% 25 GR 1828元
  • TCI Shanghai:1,4-二叔丁基苯 1,4-Di-tert-butylbenzene,>;99.0%(GC)(1012-72-2)
  • Sigma Aldrich:1012-72-2(sigmaaldrich)
  • 图谱信息:对二叔丁基苯(1012-72-2)红外图谱(IR2) 对二叔丁基苯(1012-72-2)核磁图( 1 HNMR) 对二叔丁基苯(1012-72-2)质谱(MS) 对二叔丁基苯(1012-72-2)红外图谱(IR1) 对二叔丁基苯(1012-72-2)核磁图( 13 CNMR)
  • 用途一:有机合成中间体。
  • MSDS 信息:1,4-Bis(1,1-dimethylethyl)-benzene(1012-72-2).msds
  • color:white
  • Acros Organics:1,4-二叔丁基苯 1,4-Di-tert-butylbenzene, 99%(1012-72-2)
  • 方法一:在迅速搅拌下,将干燥的异丁烯通入苯和硫酸的混合物中,反应放热,反应温度15℃左右,通气1-1.5h,再搅拌反应1h,分去硫酸层,向油层加少量水,即析出1,4-二叔丁基苯结晶。将油层进行分馏,可得苯、叔丁基苯和对二叔丁基苯。
  • Alfa Aesar:1,4-二-特-丁基苯,98% 1,4-Di-tert-butylbenzene, 98%(1012-72-2)

系列性分类


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