Diphenylmethanol 二苯甲醇

CAS 91-01-0 MFCD00004488

化学结构图

91-01-0
SMILES: OC(c1ccccc1)C1CCCCC1

化学属性

Mol. FormulaC13H12O
Mol. Weight184.23
Density1.102
Boiling Point297-298°C at 760 mmHg
Melting Point65-67°C
Flash Point160°(320°F)
TSCAYes
Appearance 白色结晶粉末

别名和识别编码

Chemical NameDiphenylmethanol
CAS Number91-01-0
Synonym Benzhydrol {LY} Benzhydrol {} {LY} Benzhydrol {} {} {LY} Benzhydrol {} {} {} {LY} Benzhydrol {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzhydrol {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00004488
EC Number202-033-8
Beilstein Registry Number1424379
PubChem Substance ID7037
Merck Number1090
Chemical Name Translation二苯甲醇
Reaxys-RN1424379
Wiswesser Line NotationQYR&R
LabNetwork Molecule IDLN00195710
InChIInChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
Canonical SMILESOC(C1=CC=CC=C1)C2=CC=CC=C2
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分类

  • {SNA} Alcohols, Building Blocks, C11 to C30+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {SA} Alcohols, Building Blocks, C11 to C30+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • Aromatics
  • {SNA} Analytical Standards, EP Standards, EP Standards C - D, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards

产品应用

  • 主要用于有机合成,医药工业作为苯甲托品,苯海拉明的中间体。

相关文献及参考

  • Short: III/35D2
  • Short: II/27B
  • Merck: 14,1090 Beilstein:6,678
  • The protection of OH groups as benzhydryl ethers can be catalyzed by sulfuric acid: Org. Synth. Coll., 4, 72 (1963); Angew. Chem. Int. Ed., 15, 281 (1976). See also Benzhydryl­ bromide, L02211. Thiols, e.g. in cysteine residues in peptide synthesis, can be protected as thioethers in the presence of TFA or HBr/AcOH: J. Chem. Soc. (C), 2683 (1970). The group can be cleaved by TFA in the presence of a cation scavenger, e.g. phenol or anisole (same ref.), or by Na in liquid NH3: J. Am. Chem. Soc., 84, 3887 (1962). See Appendix 6.
  • Kumar, C., et al.: Eur. J. Med. Chem., 44, 1223 (2009),
  • Carboxyl groups can be protected by esterification in benzene with tosic acid catalyst. Deprotection can be effected with the same catalyst by refluxing in toluene, which undergoes electrophilic alkylation: Tetrahedron Lett., 37, 1965 (1996).
  • Merck: 14,1090

安全信息

Signal word
GHS Symbol
WGK Germany2
Safety Statements
  • 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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P332+P313
  • 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
  • P305+P351+P338+P337+P313
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
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDC7452000
Hazard Codes Xi
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 24,405,1925

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,713,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,713,1979

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • TCI Shanghai:二苯甲醇 Benzhydrol,>;99.0%(GC)(91-01-0)
  • 二苯甲醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 AB485602 二苯基甲醇 100g 433元 2011/08/23 30075481 二苯基甲醇 100g 400元 2011/04/16 D0898 二苯甲醇 Benzhydrol 500G 869元
  • Alfa Aesar:二苯基甲醇,99% Benzhydrol, 99%(91-01-0)
  • 易溶于乙醇、醚、氯仿和二硫化碳。水中溶解度:0.5 g/L (20°C)
  • 用途二:主要用于有机合成,医药工业作为苯甲托品,苯海拉明的中间体。
  • 图谱信息:二苯甲醇(91-01-0)红外图谱(IR1) 二苯甲醇(91-01-0)质谱(MS) 二苯甲醇(91-01-0)红外图谱(IR2) 二苯甲醇(91-01-0)Raman光谱 二苯甲醇(91-01-0)核磁图( 13 CNMR) 二苯甲醇(91-01-0)核磁图( 1 HNMR)
  • MSDS 信息:Diphenylcarbinol(91-01-0).msds
  • MOL 文件:91-01-0.mol
  • Hazard Note:Irritant
  • 海关编码:29062900
  • 用途一:用作医药中间体,用于合成苯甲托品、苯海拉明等药物
  • Acros Organics:二苯基甲醇 Benzhydrol, 99%(91-01-0)
  • Sigma Aldrich:91-01-0(sigmaaldrich)
  • 上游原料:锌粉 --> 二苯甲酮
  • 下游产品:酸性蓝 74 --> 奈福泮 --> 二苯甲基哌嗪 --> 氯代(邻氯苯基)二苯基甲烷 --> (2-氯苯基)二苯基甲醇 --> C.I.酸性绿16

系列性分类


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