2-Chlorocyclohepta-2,4,6-trienone 2-氯-2,4,6-环庚三烯-1-酮

CAS 3839-48-3 MFCD00182497

化学结构图

3839-48-3
SMILES: O=c1cccccc1Cl

化学属性

Mol. FormulaC7H5ClO
Mol. Weight140.57
Melting Point64-67 °C
Boiling Point97 °C at 0.05 mmHg

别名和识别编码

Chemical Name2-Chlorocyclohepta-2,4,6-trienone
Synonym 2-Chlorotropone {LY} 2-Chlorotropone {} {LY} 2-Chlorotropone {} {} {LY} 2-Chlorotropone {} {} {} {LY} 2-Chlorotropone {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chlorotropone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00182497
CAS Number3839-48-3
Reaxys-RN471390
Chemical Name Translation2-氯-2,4,6-环庚三烯-1-酮
PubChem Substance ID19691
InChIKeyMTHNMAUDCHXFMM-UHFFFAOYSA-N
Wiswesser Line NotationL7VJ BG
Beilstein Registry Number0471390
LabNetwork Molecule IDLN01741254
InChIInChI=1S/C7H5ClO/c8-6-4-2-1-3-5-7(6)9/h1-5H
Canonical SMILESO=C1C(Cl)=CC=CC=C1
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分类

  • Alkenes, Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Cyclic, Ketones, Organic Building Blocks
  • {SNA} Alkenes, Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Cyclic, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; large ring; 7ring; ketone; 1fragment

相关文献及参考

  • 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/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • 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。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下，戴呼吸防护。
  • P301+P312
  • P301+P317
  • P301+P330+P331
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P304+P341
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+P313
  • P333+P317
  • P337+P313
  • P342+P311
  • P342+P316
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
RTECSGU4025000
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
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；
  • 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）；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
Hazard Codes C
Risk Statements
  • R42/43
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 93 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   53,918,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 47 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   53,918,1957

Storage condition

其他信息

  • Building Block for Synthesis

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. C7 to C8 - Ketones

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