2-Phenyl-1,3-Indandione 苯茚二酮

CAS 83-12-5 MFCD00003782

化学结构图

83-12-5
SMILES: O=C1c2ccccc2C(=O)C1c1ccccc1

化学属性

Mol. FormulaC15H10O2
Mol. Weight222.24
Melting Point148.0 to 152.0 deg-C
Flash Point208 °C
Boiling Point243.3 °C (0.3 mmHg)
SolubilityDMSO 44 mg/mL Water <1 mg/mL Ethanol 15 mg/mL

别名和识别编码

Chemical Name2-Phenyl-1,3-Indandione
Synonym 1,3(2H)-Indenedione, 2-phenyl- 1,3-Indandione,2-phenyl- 1H-Indene-1,3(2H)-dione, 2-phenyl- 1H-Indene-1,3(2H)-dione, 2-phenyl- 1H-Indene-1,3(2H)-dione,2-phenyl- 2 Phenyl 1,3 indandione 2- 2-Fenyloindandion-1,3 2-PHEN 2-PHENYL-1,3-INDANDIONE 2-PHENYL-1,3-INDANEDIONE 2-PHENYL-1H-INDEN-1,3(2H)-DIO 2-Phen 2-Phenyl-1,3-diketohydrindene 2-Phenyl-1,3-indandione 2-Phenyl-1,3-indanedione 2-Phenyl-1H-inden-1,3(2H)-dion 2-Phenyl-1H-inden-1,3(2H)-dione 2-Phenyl-1H-indene-1,3(2H)-dione 2-Phenyl-1H-indene-1,3(2H)-dione 苯茚二酮 2-Phenyl-indan-1,3-dione 2-Phenylindan-1,3-dione 2-Phenylindandione 2-fenyloindandion-1,3 2-pheny
CAS Number83-12-5
PubChem Substance ID4760
EC Number201-454-4
Beilstein Registry Number7,808
MDL NumberMFCD00003782
Reaxys-RN1911699
Merck Number7234
Chemical Name Translation苯茚二酮
Wiswesser Line NotationL56 BV DV CHJ CR
LabNetwork Molecule IDLN00843626
InChIInChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; ketone; 1fragment
  • Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Merck 14 ,7234
  • Beil. 7 ,IV,2570
  • Aldrich MSDS 1 , 1470:B / Corp MSDS 1 (2), 2781:C / FT-IR 1 (2), 55:A / FT-IR 2 (2), 2448:C / FT-NMR 1 (2), 881:C / IR-Spectra (3), 882:G / IR-Spectra (2), 772:E / NMR-Reference 2 (2), 60:D / RegBook 1 (2), 1665:C / Sax 6 , 2191 / Sigma FT-IR 1 (1), 698:A / Structure Index 1 , 263:A:3
  • Short: III/10a Title: Structure Data of Organic Crystals: C ... C 15 Author: Schudt-Weitz, G.; Strell, I. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/10a Year: 1985 ISBN: 3-540-07834-7 ISBN: 978-3-540-07834-0 Internet Resource: DOI:10.1007/b19984 RefComment: XXII, 634 pages. Hardcover Abstract: The volume includes an alphabetical index of all substances and a separate "ring index" with all cyclic compounds.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • {uni_h

安全信息

GHS Symbol
WGK Germany3
Hazard Codes T
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSNK6125000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P301+P310
  • P301+P310+P330
  • P302+P352
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger {} {} {} {} {TCI}
UN Number 2811 UN 2811 6.1/PG 3
Safety Statements
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Packing GroupIII
Hazard Class6.1
Storage condition 储存温度-20°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 190 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 48 mg/kg/27D-I
TOXIC EFFECTS :
   Blood - other changes
   Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
   NZMJAX New Zealand Medical Journal.  (New Zealand Medical Assoc., P.O. Box
   156, Wellington, New Zealand)  V.1-    1900-  Volume(issue)/page/year:
   57,283,1958

{

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 1683 mg/kg/31D-I
TOXIC EFFECTS :
   Gastrointestinal - nausea or vomiting
   Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
   acute tubular necrosis)
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   LANCAO Lancet.  (7 Adam St., London WC2N 6AD, UK)  V.1-    1823-
   Volume(issue)/page/year: 1,920,1963

{hazar

TYPE OF TEST            : LD50 - Lethal dose, 50 percent k

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 175 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SMWOAS Schweizerische Medizinische Wochenschrift.  (Schwabe & Co.,
   Steintorst 13, 4010 Basel, Switzerland)  V.50-    1920-
   Volume(issue)/page/year: 90,213,1960

其他信息

  • MOL 文件:83-12-5.mol
  • 图谱信息:苯茚二酮(83-12-5)核磁图( 13 CNMR) 苯茚二酮(83-12-5)核磁图( 1 HNMR) 苯茚二酮(83-12-5)红外图谱(IR2) 苯茚二酮(83-12-5)红外图谱(IR1) 苯茚二酮(83-12-5)质谱(MS)
  • Sigma Aldrich:83-12-5(sigmaaldrich)
  • TCI Shanghai:2-苯基茚满-1,3-二酮 2-Phenyl-1,3-indandione,>;97.0%(GC)(83-12-5)
  • Acros Organics:2-Phenyl-1H-inden-1,3(2H)-dione, 99%(83-12-5)
  • 苯茚二酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1029 2-苯基-1,3-茚满二酮 2-Phenyl-1,3-indandione 25G 720元 2014/06/02 P1029 2-苯基-1,3-茚满二酮 2-Phenyl-1,3-indandione 250G 4260元 2010/06/21 268850010 苯茚二酮 2-Phenyl-1H-inden-1,3(2H)-dione 99% 1 GR 1147元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C15 to C38 - Ketones

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