BICYCLO[5.3.0]DECAPENTAENE
Azulene
CAS: 275-51-4
Molecular Formula: C10H8
BICYCLO[5.3.0]DECAPENTAENE - Names and Identifiers
| Name | Azulene |
| Synonyms | AZULEN Azulene AZULENE Azunamic CYCLOPENTACYCLOHEPTEN LABOTEST-BB LT00007822 CYCLOPENTACYCLOHEPTENE BICYCLO[5.3.0]DECAPENTAENE Bicyclo[5.3.0]decapentaene BICYCLO(5.3.0)-DECA-1,3,5,7,9-PENTAENE |
| CAS | 275-51-4 |
| EINECS | 205-993-6 |
| InChI | InChI=1/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H |
| InChIKey | CUFNKYGDVFVPHO-UHFFFAOYSA-N |
BICYCLO[5.3.0]DECAPENTAENE - Physico-chemical Properties
| Molecular Formula | C10H8 |
| Molar Mass | 128.17 |
| Density | 1.0530 |
| Melting Point | 98-100°C(lit.) |
| Boling Point | 242°C(lit.) |
| Flash Point | 241-243°C |
| Solubility | Soluble in general organic solvents, insoluble in water. |
| Vapor Presure | 0.165mmHg at 25°C |
| Appearance | Blue small leaves or monoclinic flake crystals. There is the smell of naphthalene. |
| Color | Dark blue |
| Merck | 14,926 |
| BRN | 969517 |
| Storage Condition | Store at +2°C to +8°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Sensitive | stable. Flammable. Incompatible with strong oxidants. |
| Refractive Index | 1.5736 (estimate) |
| MDL | MFCD00003810 |
| In vitro study | 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. |
BICYCLO[5.3.0]DECAPENTAENE - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | 61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 2 |
| RTECS | CO4570000 |
| FLUKA BRAND F CODES | 8 |
| TSCA | Yes |
| HS Code | 29029000 |
| Toxicity | LD50 orl-rat: >4 g/kg DRUGAY 6,13,82 |
BICYCLO[5.3.0]DECAPENTAENE - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Biological activity | Azulene (Cyclopentacycloheptene) is an isomer of naphthalene and has high anti-HIV activity. Azulene is isolated from chamomile essential oil and is a scaffold in medicinal chemistry. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: > 4000 mg/kg; Oral-mouse LD50: > 3000 mg/kg |
| flammability hazard characteristics | combustible, burning produces stimulating smoke |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 02:00:07
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