9-phenyl-9H-carbazole

• ChemBase ID: 146024
• Molecular Formular: C18H13N
• Molecular Mass: 243.30252
• Monoisotopic Mass: 243.10479942
• SMILES: c1ccc(cc1)n1c2ccccc2c2c1cccc2
• Canonical SMILES: c1ccc(cc1)n1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
• InChIKey: VIJYEGDOKCKUOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-phenyl-9H-carbazole
• IUPAC Traditional name: 9-phenylcarbazole
• Synonyms: 9-Phenylcarbazole; 9-Phenylcarbazole; N-phenylcarbazole; 9-苯基咔唑

Database IDs

• CAS Number: 1150-62-5
• EC Number: 214-564-2
• MDL Number: MFCD00004965
• PubChem SID: 24855884; 24898280; 162240224
• PubChem CID: 70851

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9725204
• LogD (pH = 7.4): 4.9725204
• Log P: 4.9725204
• Molar Refractivity: 88.4658 cm^3
• Polarizability: 33.737377 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-97 °C(lit.); 95-97°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-37/39-60; 26-39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335-H413; H318-H315-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; 97%; 98%; 99%
• Purified By: sublimation
• Empirical Formula (Hill Notation): C18H13N

DETAILS

Sigma Aldrich - 262684

Packaging
5 g in glass bottle

Sigma Aldrich - P21501

Packaging
10 g in glass bottle