CAS Number275-51-4
SynonymsBicyclo[5.3.0]deca-2,4,6,8,10-pentaene; EINECS 205-993-6; Cyclopentacycloheptene; Azunol; Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene; MFCD00003810; Azulene; Bicyclo(5.3.0)-1,3,5,7,9-decapentaene; Bicyclo[5.3.0]decapentaene; Bicyclo[0.3.5]deca-1,3,5,7,9-pentaene; Azunamic
Molecular FormulaC10H8
Molecular Weight128.17
Density1.0±0.1 g/cm3
Boiling Point220.7±7.0 °C at 760 mmHg
Melting Point98-100 °C(lit.)
AppearanceDark blue to purple crystalline powder
EINECS205-993-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 275-51-4 |
| Catalog No. | 2A-2182247 |
| Chinese Name | 甘菊蓝 |
| Synonyms | Bicyclo[5.3.0]deca-2,4,6,8,10-pentaene; EINECS 205-993-6; Cyclopentacycloheptene; Azunol; Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene; MFCD00003810; Azulene; Bicyclo(5.3.0)-1,3,5,7,9-decapentaene; Bicyclo[5.3.0]decapentaene; Bicyclo[0.3.5]deca-1,3,5,7,9-pentaene; Azunamic |
| Molecular Formula | C10H8 |
| Molecular Weight | 128.17 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 220.7±7.0 °C at 760 mmHg |
| Melting Point | 98-100 °C(lit.) |
| Appearance | Dark blue to purple crystalline powder |
| Storage Condition | Store in an airtight, cool, dry place, sealed and |
| Application | Azulene (Cyclopentacycloheptene) is an isomer of naphthalene with high anti-HIV activity. Azulene is isolated from chamomile essential oil and is a scaffold in medicinal chemistry. |
| EINECS | 205-993-6 |
| HTC | 2902909090 |
| PubChem ID | 24891490 |
| MDL Number | MFCD00003810 |
| SMILES | c1ccc2cccc-2cc1 |
| InChI | InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H |
| InChI Key | CUFNKYGDVFVPHO-UHFFFAOYSA-N |
| Beilstein/REAXYS | 969517 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| Bioactivity | Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry[1][2][3]. Related Catalog Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection Target HIV In Vitro Azulene is an interesting scaffold in medicinal chemistry as it resembles several other bicyclic aromatics that are frequently found in drugs. Azulene, a structural isomer of naphthalene, is a bicyclic nonbenzenoid aromatic hydrocarbon having a dipole moment due to the electron-rich five-membered ring and electron-deficient sevenmembered ring[1]. References [1]. Teppo O Leino, et al. Azulene-based Compounds for Targeting Orexin Receptors. Eur J Med Chem. 2018 Sep 5;157:88-100. [2]. Julia Peet, et al. Antiretroviral (HIV-1) Activity of Azulene Derivatives. Bioorg Med Chem. 2016 Apr 15;24(8):1653-7. [3]. David A. Becker, et al. A new synthesis of substituted azulenes. Journal of the American Chemical Society, 111(1), 389-391. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 220.7±7.0 °C at 760 mmHg Melting Point 98-100 °C(lit.) Molecular Formula C10H8 Molecular Weight 128.171 Flash Point 76.7±8.9 °C Exact Mass 128.062607 LogP 3.45 Vapour Pressure 0.2±0.2 mmHg at 25°C Index of Refraction 1.632 InChIKey CUFNKYGDVFVPHO-UHFFFAOYSA-N SMILES c1ccc2cccc-2cc1 Stability Stable. Combustible. Incompatible with strong oxidizing agents. |
| Use of | Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry[1][2][3]. Properties Articles26 Name azulene Synonym More Synonyms Azulene Biological Activity Description Azulene (Cyclopentacycloheptene) is as an isomer of naphthalene with high anti-HIV activity. Azulene, isolated from the distillation of chamomile oil, is a scaffold in medicinal chemistry[1][2][3]. Related Catalog Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection In Vitro Azulene is an interesting scaffold in medicinal chemistry as it resembles several other bicyclic aromatics that are frequently found in drugs. Azulene, a structural isomer of naphthalene, is a bicyclic nonbenzenoid aromatic hydrocarbon having a dipole moment due to the electron-rich five-membered ring and electron-deficient sevenmembered ring[1]. References [1]. Teppo O Leino, et al. Azulene-based Compounds for Targeting Orexin Receptors. Eur J Med Chem. 2018 Sep 5;157:88-100. [2]. Julia Peet, et al. Antiretroviral (HIV-1) Activity of Azulene Derivatives. Bioorg Med Chem. 2016 Apr 15;24(8):1653-7. [3]. David A. Becker, et al. A new synthesis of substituted azulenes. Journal of the American Chemical Society, 111(1), 389-391. Chemical & Physical Properties Molecular Formula C10H8 Exact Mass 128.062607 Index of Refraction 1.632 InChIKey CUFNKYGDVFVPHO-UHFFFAOYSA-N Stability Stable. Combustible. Incompatible with strong oxidizing agents. |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 2.0%. Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3077 International Maritime Transport Danger Regulations: 3077 International Air Transport Danger Regulations: 3077 14.2 United Nations shipping name European land transport hazard regulations: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Azulene) IMDG Code: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Azulene) International air transport hazard regulations: Environmentally hazardous substance, solid, n.o.s. (Azulene) 14.3 Transport hazard categories European land transport Dangerous Regulations: 9 International sea transport Dangerous Regulations: 9 International air transport Dangerous Regulations: 9 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: Yes International Maritime Transport Dangerous Regulations International Air Transport Dangerous Regulations: Yes Marine Pollutants (Yes/No): Yes 14.6 Special reminder to users further information Dangerous goods are individually packaged, with liquids exceeding 5 liters or solids exceeding 5 kilograms. The outer packaging of each independent package and the combined independent inner package must have EHS on it. Identification (according to European ADR Regulation 2.2.9.1.10, IMDG Regulation 2.10.3), |
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