9-methyl-9H-carbazole

• ChemBase ID: 145056
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: Cn1c2ccccc2c2c1cccc2
• Canonical SMILES: Cn1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H11N/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h2-9H,1H3
• InChIKey: SDFLTYHTFPTIGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-9H-carbazole
• IUPAC Traditional name: 9H-carbazole, 9-methyl-
• Synonyms: 9-Methylcarbazole; N-methylcarbazole; 9-甲基咔唑

Database IDs

• CAS Number: 1484-12-4
• EC Number: 216-054-5
• MDL Number: MFCD00013431
• PubChem SID: 162239266; 24859501
• PubChem CID: 15142

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3145618
• LogD (pH = 7.4): 3.3145618
• Log P: 3.3145618
• Molar Refractivity: 58.3689 cm^3
• Polarizability: 25.089567 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-92 °C(lit.)

Safety Information

• RTECS: FE6266000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-50/53
• Safety Statements: 26-39-60-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%
• Empirical Formula (Hill Notation): C13H11N

DETAILS

Sigma Aldrich - 325325

Packaging
5 g in glass bottle