Compound: naphthalene
SMILES: c12c(cccc1)cccc2
InChIKey: UFWIBTONFRDIAS-UHFFFAOYSA-N
Synonyms: naphthalene, 91-20-3, Naphthalin, Tar camphor, White tar, Albocarbon, Naphthene, Camphor tar, naphtalene, Naphthaline, Moth balls, Moth flakes, Dezodorator, Naftalen, Mighty 150, Naphthalinum, RCRA waste number U165, Mighty RD1, Naphtalinum, NCI-C52904, DTXSID8020913, NSC-37565, 2166IN72UN, DTXCID00913, CHEBI:16482, NSC37565, RefChem:6660, 202-049-5, naftaleno, napthalene, Mothballs, C10H8, naftalina, naphtaline, naphthalen, MFCD00001742, NSC 37565, CHEMBL16293, Naphthalene, 99%, Naphthalene-1,2,3,4-13C4, NCGC00090793-02, Naphthalene - Melting point, Naftalen [Polish], Naphthalene, analytical standard, Caswell No. 587, Naphthalene [BSI:ISO], Naphtalene [ISO:French], Naphthalene, pure, CAS-91-20-3, Naphthalene, molten, CCRIS 1838, HSDB 184, Naphthalene (molten), EINECS 202-049-5, UN2304, RCRA waste no. U165, EPA Pesticide Chemical Code 055801, NAPHTHALENE (1,2,3,4,5,6,7,8-D8), Naphthalene, crude or refined, UNII-2166IN72UN, AI3-00278, 2-naphthalen, 1-Naphthalene, 2-Naphthalene, Naphthalene Standard, Naphthalene, 98%, SCHEMBL35, NAPHTHALENE [MI], NAPHTHALENE [ISO], NAPHTHALENE [HSDB], NAPHTHALENE [IARC], EC 202-049-5, NAPHTHALINUM [HPUS], SCHEMBL1091, SCHEMBL8953, NAPHTHALENE [MART.], SCHEMBL50910, SCHEMBL60224, SCHEMBL70280, SCHEMBL71297, NAPHTHALENE [USP-RS], NAPHTHALENE [WHO-DD], MLS001055498, WLN: L66J, BIDD:ER0665, SCHEMBL126263, SCHEMBL129037, SCHEMBL129202, SCHEMBL129556, SCHEMBL129693, SCHEMBL130352, SCHEMBL132970, SCHEMBL184606, SCHEMBL184780, orb3025291, orb3029107, SCHEMBL1173190, SCHEMBL1173222, SCHEMBL1173353, SCHEMBL1173538, SCHEMBL1173835, SCHEMBL1173857, SCHEMBL1408317, SCHEMBL1676184, SCHEMBL1928516, SCHEMBL2679653, SCHEMBL2733155, SCHEMBL3129235, SCHEMBL3807413, SCHEMBL3815108, SCHEMBL4957247, SCHEMBL4958541, SCHEMBL6538365, SCHEMBL6860315, SCHEMBL8397056, SCHEMBL9207154, SCHEMBL16782921, SCHEMBL17044622, SCHEMBL21462034, SCHEMBL23908694, SCHEMBL23908708, SCHEMBL29358073, MSK4314, HMS3039N15, Tox21_111023, Tox21_202004, Tox21_300008, BDBM50159249, EBC-00530, Naphthalene, for synthesis, 98.5%, STL282720, AKOS000119977, Naphthalene 100 microg/mL in Methanol, UN 1334, UN 2304, Naphthalene 10 microg/mL in Cyclohexane, NCGC00090793-01, NCGC00090793-03, NCGC00090793-04, NCGC00090793-05, NCGC00254058-01, NCGC00259553-01, BS-22320, Naphthalene 10 microg/mL in Acetonitrile, SMR000677944, Naphthalene 100 microg/mL in Acetonitrile, Naphthalene, SAJ first grade, >=98.0%, DB-361346, N0004, N0885, NS00008377, EN300-21626, C00829, D97670, SBI-0654024.0001, Naphthalene, suitable for scintillation, >=99%, F240561, L001166, Naphthalene, molten [UN2304]  [Flammable solid], Q179724, SR-01000854997, Melting point standard 79-81C, analytical standard, SR-01000854997-2, F0001-2217, Naphthalene, certified reference material, TraceCERT(R), Z104506008, Naphthalene, crude or refined [UN1334]  [Flammable solid], Naphthalene, United States Pharmacopeia (USP) Reference Standard, InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8, Naphthalene, Pharmaceutical Secondary Standard; Certified Reference Material
Theoretical properties:
molecular_formula: C10H8
molecular_weight: 128.17 g/mol
exact_mass: 128.062600255 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 10
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White crystalline flakes ... Plates from ethanol
color: White crystalline flakes ... Plates from ethanol
odor: Aromatic odor
boiling_point: 424 °F at 760 mmHg (NTP, 1992)
melting_point: 176.4 °F (NTP, 1992)
density: 1.15 (NIOSH, 2024) - Denser than water; will sink
solubility: less than 1 mg/mL at 72 °F (NTP, 1992)
flash_point: 190 °F (NTP, 1992)
vapor_pressure: 0.05 mmHg at 68 °F ; 1 mmHg at 126.7 °F (NTP, 1992)
Descriptions:
pubchem: Naphthalene can cause cancer according to The National Toxicology Program.
chebi: An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.
chembl: NAPHTHALENE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: Naphthalene is an organic compound with the chemical formula C10H8. It is a white crystalline solid with a characteristic odor that is detectable at concentrations as low as 0.08 ppm by mass. As an aromatic hydrocarbon, naphthalene's structure consists of a fused pair of benzene rings, making it a simple and rather symmetrical polycyclic aromatic hydrocarbon (PAH). It is the main ingredient of traditional mothballs.