Phenanthrene

C₁₄H₁₀CAS 85-01-8178.23 g/mol

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Properties

Molecular formula: C₁₄H₁₀
Molar mass: 178.23 g/mol
Exact mass: 178.0783 Da
Density: 0.98 g/mL (at 4 °C)
Melting point: 101 °C
Boiling point: 340 °C
Flash point: 171 °C (open cup)
Water solubility: 1.1 mg/L
logP: 3.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed99.5% of notifiers
H317 May cause an allergic skin reaction17.2% of notifiers
H400 Very toxic to aquatic life20.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects19.3% of notifiers

Aggregated from 612 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

85-01-8

SMILES

c1ccc2c(c1)ccc1ccccc12

InChIKey

YNPNZTXNASCQKK-UHFFFAOYSA-N

InChI

InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

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Names and synonyms

3 names

Ravatite
[3]Helicene
NSC 26256

Work with Phenanthrene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chrysene218-01-986 % similar Dibenz[a,h]anthracene53-70-375 % similar Benz[a]anthracene56-55-367 % similar Dibenzo[a,d]cyclohepten-5-one2222-33-561 % similar 1,1′-Binaphthyl604-53-559 % similar 3-Bromophenanthrene715-50-457 % similar Benzo[e]pyrene192-97-256 % similar Dibenzo[a,h]pyrene189-64-055 % similar

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

Same formula

Anthracene120-12-7 (2H10)Anthracene1719-06-8 4-Ethynyl-1,1′-biphenyl29079-00-3 9-Methylene-fluorene4425-82-5 Diphenylacetylene501-65-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia