Naphthalene
C₁₀H₈·128.174 g/mol·Organic·CID 931
AromaticCommon
Two fused benzene rings forming the simplest polycyclic aromatic hydrocarbon. Recognizable as the active ingredient in traditional mothballs. Sublimes readily, giving it a distinctive smell.
IUPAC: naphthalene
Also known as: 91-20-3, Naphthalin, Tar camphor, White tar, Albocarbon (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
128.170g/mol
Exact Mass
128.062600Da
Monoisotopic Mass
128.062600Da
XLogP
3.3
Polar Surface Area
0.0Ų
Complexity
80
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
0
Rotatable Bonds
0
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 128.2 g/mol
MW ≤ 500
✓ 3.3
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 0
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H302Harmful if swallowedH351Suspected of causing cancerH400Very toxic to aquatic lifeH410Very toxic to aquatic life with long lasting effectsH228Flammable solidH320Causes eye irritationH411Toxic to aquatic life with long lasting effectsH317May cause an allergic skin reactionH370Causes damage to organsH372Causes damage to organs through prolonged or repeated exposure
Source: PubChem GHS Classification. Always consult the SDS for handling.
Constituent Elements
Isomers8 compounds with formula C₁₀H₈
azulene
CID 9231 · 128.2 g/mol
1,2,3,4,5,6,7,8-octadeuterionaphthalene
CID 92148 · 136.2 g/mol
1-methylideneindene
CID 75581 · 128.2 g/mol
tricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene
CID 120191 · 128.2 g/mol
1-ethenyl-4-ethynylbenzene
CID 10942441 · 128.2 g/mol
naphthalene
CID 12199710 · 129.2 g/mol
2-deuterionaphthalene
CID 6912029 · 129.2 g/mol
5-cyclopenta-2,4-dien-1-ylidenecyclopenta-1,3-diene
CID 10908294 · 128.2 g/mol