9H-carbazol-2-ol

• ChemBase ID: 90186
• Molecular Formular: C12H9NO
• Molecular Mass: 183.20596
• Monoisotopic Mass: 183.06841391
• SMILES: [nH]1c2c(cccc2)c2ccc(cc12)O
• Canonical SMILES: Oc1ccc2c(c1)[nH]c1c2cccc1
• InChI: InChI=1S/C12H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13-14H
• InChIKey: GWPGDZPXOZATKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazol-2-ol
• IUPAC Traditional name: 9H-carbazol-2-ol; 2-hydroxycarbazole
• Synonyms: 9H-Carbazol-2-ol; 2-Hydroxy-9H-carbazole; 2-Carbazolol; 2-Hydroxycarbazole; 9H-carbazol-2-ol; 2-咔唑醇; 2-羟基咔唑

Database IDs

• CAS Number: 86-79-3
• EC Number: 201-699-7
• MDL Number: MFCD00004962
• Beilstein Number: 135859
• PubChem SID: 24879092; 162077026; 24852786
• PubChem CID: 93551

CALCULATED PROPERTIES

• Acid pKa: 9.402828
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.7872665
• LogD (pH = 7.4): 2.7830544
• Log P: 2.7873204
• Molar Refractivity: 55.4531 cm^3
• Polarizability: 23.804424 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 270-273 °C; 270-273 °C(lit.); 270-273°C; 270-273°C°C

Safety Information

• Storage Warning: Irritant
• RTECS: FE6355000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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: ≥95.0% (HPLC); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C12H9NO
• Classification: Derivatives & analogs of Natural Compounds

DETAILS

Sigma Aldrich - 213497

Packaging
5 g in glass bottle