CAS 27236-49-3 9-Acetyl-9H-carbazole (HCID 95837)

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Basic information

CAS: 27236-49-3
Standard SMILES: CC(=O)n1c2ccccc2c2ccccc21
InChIKey: CADSTRJVECIIAT-UHFFFAOYSA-N
Molecular formula: C14H11NO
Average molar mass: 209.24 g/mol
Monoisotopic mass: 209.08406397

Names & identifiers

Preferred name: 9-Acetyl-9H-carbazole
IUPAC: 1-carbazol-9-ylethanone
English name: 9-ACETYLCARBAZOLE 97
Molecular formula: C14H11NO
Molecular weight: 209.24

Names & synonyms

1-(9H-carbazol-9-yl)ethanone574-39-09-Acetylcarbazole9H-Carbazole, 9-acetyl-9-acetyl-9H-carbazoleN-acetylcarbazoleJ45K05W8L6ethanone, 1-(9H-carbazol-9-yl)-NSC 39028DTXSID70205989NSC-39028RefChem:549156

Show more names

JACS-574-39-09-ACETYLCARBAZOLE 97

DTXCID50128480621-269-61-carbazol-9-ylethanone1-(9H-carbazol-9-yl)ethan-1-one1-Carbazol-9-yl-ethanoneMFCD000870279-acetyl-carbazole9-Acetylcarbazol

Database identifiers

CAS: 27236-49-3、574-39-0
PubChem CID: 95837
DTXSID: DTXSID70205989
ChEMBL: CHEMBL1607816
UNII: J45K05W8L6
EC Number: 621-269-6
Nikkaji: J95.017C

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 22 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 266

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 77 · 77-79 °C (lit.)
Boiling point: 348.61 °C · 348.61°C (rough estimate)
Density: 1.158 · 1.1580
refractive index: 1.64 · 1.6400 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Toluene
form: powder to crystal
color: White to Almost white
InChI: 1S/C14H11NO/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,1H3
InChIKey: CADSTRJVECIIAT-UHFFFAOYSA-N
SMILES: CC(=O)n1c2ccccc2c3ccccc13
FDA UNII: 45 K05W8L6 · J45K05W8L6

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.