4-Benzylphenol 4-苄基苯酚

CAS 101-53-1 MFCD00002384

化学结构图

101-53-1
SMILES: Oc1ccc(Cc2ccccc2)cc1

化学属性

Mol. FormulaC13H12O
Mol. Weight184.23
Boiling Point198-200 °C at 10 mmHg
Melting Point79-81 °C
TSCAYes
Flash Point320-322°C

别名和识别编码

Chemical Name4-Benzylphenol
CAS Number101-53-1
Synonym 4-Benzylphenol {LY} 4-Benzylphenol {} {LY} 4-Benzylphenol {} {} {LY} 4-Benzylphenol {} {} {} {LY} 4-Benzylphenol {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Benzylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00002384
PubChem Substance ID87570667
EC Number202-950-3
Beilstein Registry Number6,675
Reaxys-RN1449572
Merck Number1143
Chemical Name Translation4-苄基苯酚
LabNetwork Molecule IDLN00196301
InChIInChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
Canonical SMILESOC1=CC=C(CC2=CC=CC=C2)C=C1
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分类

  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

相关文献及参考

  • Merck 14 ,1143
  • Beil. 6 ,IV,4640
  • FT-IR 2 (2), 1905:B / FT-IR 1 (1), 1117:D / FT-NMR 1 (2), 321:A / IR-Spectra (3), 671:B / IR-Spectra (2), 599:B / NMR-Reference 2 (1), 915:B / RegBook 1 (1), 1309:G / Structure Index 1 , 200:C:3 / Vapor Phase 3 , 1045:C
  • 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

安全信息

WGK Germany2
GHS Symbol
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
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
RTECSSM8330500
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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;
  • S37 Wear suitable gloves 戴适当手套;
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >20 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ANTCAO Antibiotics and Chemotherapy (Washington, DC).  (Washington, DC)
   V.1-12, 1951-62.  For publisher information, see CLMEA3.
   Volume(issue)/page/year: 4,917,1954

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 下游产品:苄氯贝特
  • MOL 文件:101-53-1.mol
  • Acros Organics:4-羟基二苯甲烷 4-Hydroxydiphenylmethane, 96%(101-53-1)
  • TCI Shanghai:4-苄基苯酚 4-Benzylphenol,>;98.0%(GC)(101-53-1)
  • 4-羟基二苯甲烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0239 4-苄基苯酚 4-Benzylphenol 500G 6580元 2014/06/02 H0239 4-苄基苯酚 4-Benzylphenol 25G 623元 2010/05/25 B22538 4-苯甲基苯酚, 99% 4-Benzylphenol, 98+% 5g 312元
  • Alfa Aesar:4-苯甲基苯酚,99% 4-Benzylphenol, 98+%(101-53-1)
  • Sigma Aldrich:101-53-1(sigmaaldrich)
  • 图谱信息:4-羟基二苯甲烷(101-53-1)红外图谱(IR1) 4-羟基二苯甲烷(101-53-1)红外图谱(IR2) 4-羟基二苯甲烷(101-53-1)核磁图( 1 HNMR) 4-羟基二苯甲烷(101-53-1)Raman光谱 4-羟基二苯甲烷(101-53-1)核磁图( 13 CNMR) 4-羟基二苯甲烷(101-53-1)质谱(MS)

系列性分类


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