9H-carbazole

• ChemBase ID: 4952
• Molecular Formular: C12H9N
• Molecular Mass: 167.20656
• Monoisotopic Mass: 167.07349929
• SMILES: c12ccccc1c1ccccc1[nH]2
• Canonical SMILES: c1ccc2c(c1)[nH]c1c2cccc1
• InChI: InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
• InChIKey: UJOBWOGCFQCDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazole
• IUPAC Traditional name: carbazole
• Synonyms: 9H-CARBAZOLE; Carbazole solution; Carbazole; diphenyleneimide; USAF EK-600; CARBAZOLE; 9-Azafluorene; Dibenzopyrrole; Diphenylenimine; 9H-Carbazole 96%; 9-azafluorene; 苄唑; 咔唑 溶液; 咔唑

Database IDs

• CAS Number: 86-74-8
• EC Number: 201-696-0
• MDL Number: MFCD00004960
• Beilstein Number: 3956
• Merck Index: 141790
• PubChem SID: 24867880; 24869789; 99443772; 160968384; 24892756
• PubChem CID: 6854
• CHEBI ID: 27543
• CHEMBL: 243580
• Chemspider ID: 6593
• DrugBank ID: DB07301
• KEGG ID: C08060
• Unique Ingredient Identifier: 0P2197HHHN
• Wikipedia Title: Carbazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.973866
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.0908856
• LogD (pH = 7.4): 3.0908856
• Log P: 3.0908856
• Molar Refractivity: 53.4722 cm^3
• Polarizability: 23.341745 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 3.69
• LOG S: -3.4
• Solubility (Water): 6.69e-02 g/l

PROPERTIES

Physical Property

• Melting Point: 240-246°C; 243-246 °C(lit.); 243-246°C; 245-247°C; 246.3 °C
• Boiling Point: 354.69 °C; 354-356°C; 355 °C(lit.); 355°C
• Flash Point: 220 °C; 220°C; 220°C(428°F); 428 °F
• Density: 1.150; 1.301g/cm^3
• Vapor Pressure: 400 mmHg ( 323 °C)

Safety Information

• Storage Warning: Toxic
• RTECS: FE3150000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 1593; 2811; UN3077
• German water hazard class: 2
• Hazard Class: 6.1; 9
• Packing Group: 3; III
• Risk Statements: 22-36/37/38-40-50/53; 40-50/53; 40-52/53; R:22
• Safety Statements: 26-36-60-61; 36/37-57; 36/37-61; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H301-H315-H319-H335-H351-H400; H351; H351-H400-H410
• GHS Precautionary statements: P261-P273-P281-P301 + P310-P305 + P351 + P338; P281; P281-P273-P308+P313-P391-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1593 6.1/PG 3; UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (GC); 95%; 95+%; 98%
• Concentration: 2000 μg/mL in methylene chloride
• Grade: analytical standard; VETRANAL™, analytical standard
• Packaging: ampule of 1 mL; ampule of 1000 mg
• Empirical Formula (Hill Notation): C12H9N

DETAILS

DrugBank - DB07301

Drug information: experimental

Sigma Aldrich - 46100

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - C5132

包装
100, 250, 500 g in poly bottle
Quality
May contain dark particles.