3,6-dibromo-9-ethyl-9H-carbazole

• ChemBase ID: 144230
• Molecular Formular: C14H11Br2N
• Molecular Mass: 353.05184
• Monoisotopic Mass: 350.92582336
• SMILES: CCn1c2ccc(cc2c2c1ccc(c2)Br)Br
• Canonical SMILES: CCn1c2ccc(cc2c2c1ccc(c2)Br)Br
• InChI: InChI=1S/C14H11Br2N/c1-2-17-13-5-3-9(15)7-11(13)12-8-10(16)4-6-14(12)17/h3-8H,2H2,1H3
• InChIKey: GZBJRMVGNVDUCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromo-9-ethyl-9H-carbazole
• IUPAC Traditional name: 3,6-dibromo-9-ethylcarbazole
• Synonyms: 3,6-Dibromo-9-ethylcarbazole; 3,6-dibromo-9-ethylcarbazole

Database IDs

• CAS Number: 33255-13-9
• MDL Number: MFCD00138134
• PubChem SID: 162238446
• PubChem CID: 631855

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.208875
• LogD (pH = 7.4): 5.208875
• Log P: 5.208875
• Molar Refractivity: 78.3631 cm^3
• Polarizability: 32.00919 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 137-142 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41
• Safety Statements: 26
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H413
• GHS Precautionary statements: P280-P305 + P351 + P338

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C14H11Br2N

DETAILS

Sigma Aldrich - 731951

Packaging
1 g in glass bottle