Compound: CARBAZOLE
SMILES: [nH]1c2c(cccc2)c3c1cccc3
InChIKey: UJOBWOGCFQCDNV-UHFFFAOYSA-N
Synonyms: CARBAZOLE, 9H-Carbazole, 86-74-8, Dibenzopyrrole, Diphenylenimine, 9-Azafluorene, Diphenylenimide, Diphenyleneimine, Dibenzo[b,d]pyrrole, USAF EK-600, Dibenzo(b,d)pyrrole, SKF 20091, DTXSID4020248, 0P2197HHHN, NSC-3498, DTXCID40248, CHEBI:27543, RefChem:574162, CHEBI:3391, CHEBI:39205, 201-696-0, NSC 3498, MFCD00004960, diphenyleneimide, CAS-86-74-8, SMR000112232, CCRIS 121, HSDB 2164, EINECS 201-696-0, UNII-0P2197HHHN, Carvedilol Carbazole Impurity, para-carbazole, AI3-00096, 9H carbazole, 9-H-carbazole, 9CA, Carbazole, 96%, Chlorophenesin carbamate, CARBAZOLE [MI], Carbazole (High Purity), CARBAZOLE [HSDB], CARBAZOLE [IARC], 9H-carbazole-d8 (9ci), bmse000666, EC 201-696-0, SCHEMBL5030, SCHEMBL7650, SCHEMBL24062, SCHEMBL24817, SCHEMBL25035, SCHEMBL25590, MLS001066363, MLS002415721, Carbazole, analytical standard, Carbazole, extra pure, 98%, SCHEMBL166213, SCHEMBL441359, SCHEMBL852559, SCHEMBL974277, SCHEMBL975036, SCHEMBL975423, SCHEMBL975513, WLN: T B656 HMJ, Carbazole, >=95% (GC), CHEMBL243580, orb3029266, SCHEMBL1666094, SCHEMBL2388664, SCHEMBL3227577, SCHEMBL3232112, SCHEMBL15063062, SCHEMBL16179644, SCHEMBL16669006, SCHEMBL16669262, SCHEMBL29355407, SCHEMBL30209164, NSC3498, PDK0380, HMS2267P20, STR04484, Tox21_201703, Tox21_302847, EBC-04389, MSK001050, SBB040883, STK671343, AKOS000119129, AT24454, Carbazole 1000 microg/mL in Methanol, DB07301, FC07721, MSK001050-100T, PS-4072, MSK001050-1000T, NCGC00091233-01, NCGC00091233-02, NCGC00091233-03, NCGC00256533-01, NCGC00259252-01, Carbazole Solution in Toluene, 100ug/mL, ST098573, Carbazole Solution in Toluene, 1000ug/mL, DB-038198, DS-017121, C3722, NS00014228, Carbazole, VETRANAL(TM), analytical standard, EN300-19085, C08060, F091686, Q424003, F0001-2148, Z104472702, InChI=1/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13, 51555-21-6
Theoretical properties:
molecular_formula: C12H9N
molecular_weight: 167.21 g/mol
exact_mass: 167.073499291 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 13
topological_polar_surface_area: 15.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals from alcohol, benzene, toluene, glacial acetic acid
color: Crystals from alcohol, benzene, toluene, glacial acetic acid
odor: Characteristic odor
boiling_point: 671 °F at 760 mmHg (NTP, 1992)
melting_point: 473 to 475 °F (NTP, 1992)
density: 1.1 at 64 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
flash_point: 220.0 °C (428.0 °F) - closed cup
vapor_pressure: 400 mmHg at 613 °F (NTP, 1992)
Descriptions:
pubchem: Carbazole can cause cancer according to The Environmental Protection Agency (EPA).
chembl: CARBAZOLE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Carbazole is an aromatic heterocyclic organic compound. It has a tricyclic structure, consisting of two six-membered benzene rings fused on either side of a five-membered nitrogen-containing ring. The compound's structure is based on the indole structure, but in which a second benzene ring is fused onto the five-membered ring at the 2–3 position of indole (equivalent to the 9a–4a double bond in carbazole, respectively).
Carbazole is a constituent of tobacco smoke.