Azulene 甘菊蓝

CAS 275-51-4 MFCD00003810

化学结构图

275-51-4
SMILES: c1ccc2cccc-2cc1

化学属性

Mol. FormulaC10H8
Mol. Weight128.17 g/mol
Boiling Point242 °C(lit.)
Melting Point99.0 to 103.0 deg-C
TSCAYes
Flash Point241-243°C

别名和识别编码

Chemical NameAzulene
Synonym AZULEN AZULENE AZULENE OEKANAL AZULENE OEKANAL 100 MG AZULENE(RG) AZULENE, FOR GC Azulene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number275-51-4
PubChem Substance ID9231
EC Number205-993-6
Beilstein Registry Number5(4)1636
MDL NumberMFCD00003810
Reaxys-RN969517
Merck Number926
Chemical Name Translation甘菊蓝
Wiswesser Line NotationL57J
LabNetwork Molecule IDLN01274773
InChIInChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
Canonical SMILESC12=CC=CC=CC1=CC=C2
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分类

  • {SA} A, A-B, AR to AZ, Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, Environmental Standards,
  • {SNA} A, A-B, AR to AZ,
  • {SNA} A-B, Additional Standards, All PAH Standards, Alpha Sort, Analytical Standards, Chromatography, Environmental Standards, Organic Pollutant Standards, PAHs, Polycyclic Aromatic Hydrocarbon (PAH) Standards, Volatiles/ Semivolatiles, neat, 分析/色谱
  • {SNA} Arenes,
  • {SNA} Arenes,

相关文献及参考

  • Readily undergoes electrophilic substitution at the 1-position of the five-membered ring; e.g. formylation with triethyl orthoformate and boron trifluoride etherate: Tetrahedron Lett ., 4707 (1967), and Friedel-Crafts acylation without a catalyst, using either trichloro- or trifluoroacetic anhydride: J. Org. Chem., 27, 3578 (1962).
  • Interesting non-alternant hydrocarbon, isoelectronic with naphthalene.
  • Short: II/19b
  • Nucleophilic substitution occurs at the 4- and 6-positions of the 7-membered ring: Liebigs Ann. Chem., 1222 (1986). For a review of azulene chemistry, see: Russ. Chem. Rev., 46, 530 (1977).

安全信息

GHS Symbol
WGK Germany2
Hazard Codes N
Hazard statements
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Gloves dust mask type N95 (US), Eyeshields, Gloves
RTECSCO4570000
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R51/53
UN Number UN 3077 9/PG 3 3077 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#07952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 520 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,13,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 145 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,13,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,13,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than l

Storage condition 2-8°C

其他信息

  • 急性毒性:口服-大鼠 LD50: >; 4000 毫克/公斤; 口服-小鼠 LD50: >; 3000 毫克/公斤
  • Acros Organics:Azulene, 99%(275-51-4)
  • TCI Shanghai:奥苷菊环 Azulene,>;99.0%(GC)(275-51-4)
  • 毒性分级:中毒
  • Alfa Aesar:,99% Azulene, 99%(275-51-4)
  • F:8
  • MOL 文件:275-51-4.mol
  • 储运特性:通风低温干燥
  • Sigma Aldrich:275-51-4(sigmaaldrich)
  • 图谱信息:奥苷菊环 (275-51-4)红外图谱(IR1) 奥苷菊环 (275-51-4)红外图谱(IR2) 奥苷菊环 (275-51-4)质谱(MS) 奥苷菊环 (275-51-4)核磁图( 13 CNMR) 奥苷菊环 (275-51-4)核磁图( 1 HNMR)
  • 可燃性危险特性:可燃, 燃烧产生刺激烟雾
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Plant Extracts - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Panax ginseng - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Hydrocarbons - Chemical Class
  5. Neats - Hydrocarbons
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. A - Alphabetic
  5. AR to AZ - A
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. A-B - Alpha Sort
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Tropolones & Azulenes

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