10,11-Dihydro-5H-Dibenzo[A,D][7]Annulen-5-One 10,11-二氢二苯并[a,d]环庚烯-5-酮

CAS 1210-35-1 MFCD00003587

化学结构图

1210-35-1
SMILES: O=C1C2=CC=CC=C2CCC2C=CC=CC=21

化学属性

Mol. FormulaC15H12O
Mol. Weight208.26
Density1.156 g/mL at 25 °C(lit.)
Boiling Point148 °C at 0.3 mmHg
Melting Point32-34 ℃
Refractive indexn20/D 1.6332(lit.)
Flash Point200°(392°F)
TSCAYes
Solubility不溶

别名和识别编码

Chemical Name10,11-Dihydro-5H-Dibenzo[A,D][7]Annulen-5-One
CAS Number1210-35-1
Synonym Dibenzocycloheptenone {LY} Dibenzocycloheptenone {} {LY} Dibenzocycloheptenone {} {} {LY} Dibenzocycloheptenone {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibenzocycloheptenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibenzocy
MDL NumberMFCD00003587
Beilstein Registry Number1454355
EC Number214-912-3
PubChem Substance ID87568270
Reaxys-RN1454355
Chemical Name Translation10,11-二氢二苯并[a,d]环庚烯-5-酮
LabNetwork Molecule IDLN00857278
Canonical SMILESO=C1C2=CC=CC=C2CCC3=CC=CC=C13
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分类

  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Analytical Standards, EP Standards, EP Standards C - D, Pharmacopeia & Metrological Institutes Standards, 分析/色谱
  • {SNA} Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography,

产品应用

  • Amitriptyline (A633350) impurity, a potential antidepressant compound.

相关文献及参考

  • Flash vacuum pyrolysis gives anthracene in quantitative yield: Rec. Trav. Chim., 101, 317 (1982). For a study, with discussion of the mechanism, of the FVP of substituted dibenzosuberones to the corresponding anthracenes, see: J. Org. Chem., 60, 8407 (1995).
  • Campbell, T. W., et al.: Helv. Chimica Acta,?36,?1489 (1953),
  • Stelt, C., et al.: J. Med. Pharmaceut. Chem., 4,?335 (1961),

安全信息

RTECSHP1149700
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
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。
  • 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
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
GHS Symbol
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1800 uL/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - ataxia
   Behavioral - coma
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,186,1992

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MSDS 信息:Dibenzocycloheptadienone(1210-35-1).msds
  • 海关编码:29143900
  • Sigma Aldrich:1210-35-1(sigmaaldrich)
  • 10,11-二氢二苯并[a,b]环庚烯-5-酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1801 二苯并环庚酮 Dibenzosuberone 500G 1880元 2014/06/02 D1801 二苯并环庚酮 Dibenzosuberone 25G 228元 2010/06/21 114741000 10,11-二氢二苯并[a,b]环庚烯-5-酮 Dibenzosuberone 97% 100 GR 917元
  • 用途一:用作医药中间体
  • 用途二:医药中间体,用于药物阿米替林的合成。
  • 方法一:由邻β-苯乙基苯甲酸经环合而得。
  • MOL 文件:1210-35-1.mol
  • 上游原料:乙基苯甲酸
  • TCI Shanghai:10,11-二氢二苯并[a,b]环庚烯-5-酮 Dibenzosuberone,>;97.0%(GC)(1210-35-1)
  • Alfa Aesar:二苯并环庚烯酮,97% Dibenzosuberone, 97%(1210-35-1)
  • 图谱信息:10,11-二氢二苯并[a,b]环庚烯-5-酮(1210-35-1)红外图谱(IR1) 10,11-二氢二苯并[a,b]环庚烯-5-酮(1210-35-1)核磁图( 1 HNMR) 10,11-二氢二苯并[a,b]环庚烯-5-酮(1210-35-1)质谱(MS)
  • Acros Organics:二苯并软木酮 Dibenzosuberone, 97%(1210-35-1)
  • 下游产品:5-二苯并环庚烯酮

系列性分类


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