p-Toluquinone 2-methylcyclohexa-2,5-diene-1,4-dione

CAS 553-97-9 MFCD00001603

化学结构图

553-97-9
SMILES: CC1=CC(=O)C=CC1=O

化学属性

Mol. FormulaC7H6O2
Mol. Weight122.12
Melting Point66-67°C
TSCAYes
Solubility不溶
Appearance 淡黄色或金黄色晶体。熔点66.5-68℃。
Boiling Point186.6°C at 760 mmHg
Flash Point64.9°C

别名和识别编码

Chemical Name2-methylcyclohexa-2,5-diene-1,4-dione
Synonym 2-Methylcyclohexa-2,5-diene-1,4-dione {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione 2-methyl-1,4-benzoquinone 2-methyl-p-benzoquinone methyl-p-benzoquinone toluquinone {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclohexa-2,5-diene-1,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2
Beilstein Registry Number471387
PubChem Substance ID11122
CAS Number553-97-9
EC Number209-056-2
MDL NumberMFCD00001603
Reaxys-RN471387
Chemical Name Translation2-methylcyclohexa-2,5-diene-1,4-dione
Wiswesser Line NotationL6V DVJ B1
LabNetwork Molecule IDLN00238295
Canonical SMILESO=C1C(C)=CC(C=C1)=O
InChIInChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
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分类

  • Materials Science, Polymer Additives, Polymer Science, Stabilizers
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Polymer Additives, Polymer Science, Stabilizers, 材料科学
  • {SNA} Materials Science, Polymer Additives, Polymer Science, Stabilizers

相关文献及参考

  • Beil. 7 ,IV,2088
  • Aldrich MSDS 1 , 1212:A / Corp MSDS 1 (2), 2298:A / FT-IR 1 (1), 452:C / FT-IR 2 (1), 714:B / FT-NMR 1 (1), 713:B / IR-Spectra (3), 268:B / NMR-Reference 2 (1), 415:A / RegBook 1 (1), 491:N / Sax 6 , 1812 / Structure Index 1 , 70:C:8
  • 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.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Subs

安全信息

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。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P312+P362+P364
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • 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
Hazard Codes Xn T Xn,T
RTECSDK6300000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 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            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1200 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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:553-97-9(sigmaaldrich)
  • 下游产品:1,4-二乙酰氧基-2-甲基萘
  • F:8
  • Alfa Aesar:甲基-1，4-苯醌,98% Methyl-p-benzoquinone, 98%(553-97-9)
  • MSDS 信息:2-Methyl-2,5-cyclohexadiene-1,4-dione(553-97-9).msds
  • 甲基苯醌价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0159 甲基对苯醌 p-Toluquinone 5G 253元 2014/06/02 M0159 甲基对苯醌 p-Toluquinone 25G 649元 2014/06/02 T1244 甲基对苯醌 p-Toluquinone 500G 3620元
  • 用途一:主要用于颜料、染料、医药中间体。
  • MOL 文件:553-97-9.mol
  • 图谱信息:甲基苯醌(553-97-9)质谱(MS) 甲基苯醌(553-97-9)核磁图( 1 HNMR) 甲基苯醌(553-97-9)红外图谱(IR2) 甲基苯醌(553-97-9)核磁图( 13 CNMR) 甲基苯醌(553-97-9)红外图谱(IR1)
  • TCI Shanghai:甲基对苯醌 p-Toluquinone,>;99.0%(GC)(T)(553-97-9)
  • 海关编码:29146990

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. Materials Science 材料科学
  2. Products for Polymer Science Research
  3. Polymer Additives - Polymer Science
  4. Stabilizers - Polymer Additives
  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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Polymers
  4. Polymer Additives
  5. Plasticizers

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