2,​5-​Cyclohexadiene-​1,​4-​dione, 2,​5-​dimethyl- 2,5-二甲基-1,4-苯醌

CAS 137-18-8 MFCD00041737

化学结构图

137-18-8
SMILES: CC1=CC(=O)C(C)=CC1=O

化学属性

Mol. FormulaC8H8O2
Mol. Weight136.15
Melting Point123-125 °C
Boiling Point69-80 °C at 760 mmHg

别名和识别编码

Chemical Name2,​5-​Cyclohexadiene-​1,​4-​dione, 2,​5-​dimethyl-
Synonym 2,5-Dimethyl-1,4-benzoquinone {LY} 2,5-Dimethyl-1,4-benzoquinone {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,5-Dimethyl-1,4-benzoquinone {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00041737
CAS Number137-18-8
PubChem Substance ID87567326
Beilstein Registry Number7(3)3397
EC Number205-283-6
Reaxys-RN2041348
Chemical Name Translation2,5-二甲基-1,4-苯醌
InChIKeyMYKLQMNSFPAPLZ-UHFFFAOYSA-N
Wiswesser Line NotationL6V DVJ B1 E1
LabNetwork Molecule IDLN01372555
Canonical SMILESO=C1C(C)=CC(C(C)=C1)=O
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 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), and carbon-13 (subvol. D) 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: 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

安全信息

WGK Germany3
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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P302+P352+P332+P313+P362+P364
  • P301+P310
  • 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
  • P301+P312+P330
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDK4800000
Signal word Danger
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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；
Hazard Codes Xn
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
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,39,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 290 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   97,533,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 11 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   97,533,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 43 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   97

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 40 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 347,37,1995

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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. C7 to C8 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Benzoquinones
  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 酮
  6. C3 to C6

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