Benzo[b]fluoranthene

C₂₀H₁₂CAS 205-99-2252.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₁₂
Molar mass: 252.32 g/mol
Exact mass: 252.0939 Da
Melting point: 168 °C
Boiling point: 481 °C
Water solubility: 1.5 µg/L
logP: 5.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H350 May cause cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P273, P280, P318, P391, P405, P501

Identifiers

CAS number

205-99-2

SMILES

c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13

InChIKey

FTOVXSOBNPWTSH-UHFFFAOYSA-N

InChI

InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Benzo(B)fluoranthene
Benz(E)acephenanthrylene
Benz[e]acephenanthrylene
Benzo[e]fluoranthene
3,4-Benzofluoranthene
3,4-Benz[e]acephenanthrylene
3,4-Benzfluoranthene
2,3-Benzfluoranthene
NSC 89265
BbF

Work with Benzo[b]fluoranthene

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

Indeno[1,2,3-cd]pyrene193-39-555 % similar Fluoranthene206-44-054 % similar Dibenzo[a,h]pyrene189-64-052 % similar 9-(Naphthalen-1-yl)anthracene7424-70-648 % similar 9-Phenylphenanthrene844-20-248 % similar 1,1′-Binaphthyl604-53-548 % similar 3-Bromofluoranthene13438-50-147 % similar 3-Aminofluoranthene2693-46-147 % similar

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

Same formula

Benzo[e]pyrene192-97-2 Perylene198-55-0 Benzo[k]fluoranthene207-08-9 Benzo[a]pyrene50-32-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia