1,3-Benzenediol, 4-(phenylmethyl)- 4-苄基苯-1,3-二醇

CAS 2284-30-2 MFCD00059620

化学结构图

2284-30-2
SMILES: Oc1ccc(Cc2ccccc2)c(O)c1

化学属性

Mol. FormulaC13H12O2
Mol. Weight200.23
Boiling Point215 °C at 12 mmHg
Melting Point79 °C

别名和识别编码

Chemical Name1,3-Benzenediol, 4-(phenylmethyl)-
Synonym 4-Benzylbenzene-1,3-diol {LY} 4-Benzylbenzene-1,3-diol {} {LY} 4-Benzylbenzene-1,3-diol {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylbenzene
MDL NumberMFCD00059620
CAS Number2284-30-2
Reaxys-RN2212106
Chemical Name Translation4-苄基苯-1,3-二醇
PubChem Substance ID87563475
InChIKeyQVFIWTNWKHFVEH-UHFFFAOYSA-N
Wiswesser Line NotationQR CQ D1R
Beilstein Registry Number2212106
LabNetwork Molecule IDLN01740315
InChIInChI=1S/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
Canonical SMILESC1=CC=C(C=C1)CC2=C(C=C(C=C2)O)O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 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: 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.e

安全信息

RTECSVH0175000
GHS Symbol
Signal word
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 73 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCAL British Journal of Pharmacology and Chemotherapy.  (London, UK)
   V.1-33, 1946-68.  For publisher information, see BJPCBM.
   Volume(issue)/page/year: 22,221,1964

Storage condition

系列性分类

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