Azulene

C₁₀H₈CAS 275-51-4128.17 g/mol

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Properties

Molecular formula: C₁₀H₈
Molar mass: 128.17 g/mol
Exact mass: 128.0626 Da
Density: 0.9877 g/mL (at 25 °C)
Melting point: 99 °C
Boiling point: 135.6 °C (at 1.1 Torr)
logP: 2.79Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

H411 Toxic to aquatic life with long lasting effects90.9% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

275-51-4

SMILES

c1ccc2cccc-2cc1

InChIKey

CUFNKYGDVFVPHO-UHFFFAOYSA-N

InChI

InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

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Names and synonyms

3 names

Bicyclo[5.3.0]decapentaene
Cyclopentacycloheptene
NSC 89248

Reactions

Azuleneproduct

Work with Azulene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Biphenyl92-52-490 % similar para-Quaterphenyl135-70-682 % similar P-Quinquephenyl3073-05-082 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-682 % similar Terphenyl92-94-482 % similar M-Terphenyl92-06-877 % similar 1,3,5-Triphenylbenzene612-71-569 % similar 4-Chlorobiphenyl2051-62-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2H8)Naphthalene1146-65-2 Naphthalene91-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia