2-Phenyl-1,4-Benzoquinone 2-苯基-1,4-苯醌

CAS 363-03-1 MFCD00001599

化学结构图

363-03-1
SMILES: O=C1C=CC(=O)C(c2ccccc2)=C1

化学属性

Mol. FormulaC12H8O2
Mol. Weight184.19
Melting Point111-115 °C
Boiling Point278.14 °C at 760 mmHg

别名和识别编码

Chemical Name2-Phenyl-1,4-Benzoquinone
Synonym Phenylquinone {LY} Phenylquinone {} {LY} Phenylquinone {} {} {LY} Phenylquinone {} {} {} {LY} Phenylquinone {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00001599
CAS Number363-03-1
Chemical Name Translation2-苯基-1,4-苯醌
InChIKeyRLQZIECDMISZHS-UHFFFAOYSA-N
Wiswesser Line NotationL6V DVJ XR
LabNetwork Molecule IDLN00193193
Reaxys-RN637627
PubChem Substance ID9688
InChIInChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
Canonical SMILESC1=CC=C(C=C1)C2=CC(=O)C=CC2=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment

相关文献及参考

  • 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.
  • 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.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Signal word
GHS Symbol
Safety Statements
Risk Statements
Precautionary statements
RTECSDK6650000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 19 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 20,1751,1970

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 110 mg/m3/4H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534851

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 50 mg/L
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 78,1027,1987

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Embryo
DOSE/DURATION           : 600 ug/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 16,477,1995

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 5 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 259,1,1991

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Human Leukocyte
DOSE/DURATION           : 25 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 13,1937,1992

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 5 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 259,1,1991

TYPE OF TEST            : Micronucleus test
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 6 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 322,243,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   ENDOAO Endocrinology (Baltimore).  (Williams & Wilkins Co., 428 E. Preston
   St., Baltimore, MD 21203) V.1-    1917-  Volume(issue)/page/year:
   57,466,1955

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 {} {} {} {} {} {} {} {} {} {} {}

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
  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. C11 to C12 - Ketones

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