9-ethyl-9H-carbazole

• ChemBase ID: 88600
• Molecular Formular: C14H13N
• Molecular Mass: 195.25972
• Monoisotopic Mass: 195.10479942
• SMILES: n1(c2c(cccc2)c2ccccc12)CC
• Canonical SMILES: CCn1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3
• InChIKey: PLAZXGNBGZYJSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-9H-carbazole
• IUPAC Traditional name: N-ethylcarbazol
• Synonyms: 9-Ethyl-9H-carbazole; 9-ETHYLCARBAZOLE; N-Ethylcarbazole; 9-Ethylcarbazole; N-乙基咔唑

Database IDs

• CAS Number: 86-28-2
• EC Number: 201-660-4
• MDL Number: MFCD00004967
• Beilstein Number: 148115
• PubChem SID: 24894337; 162075522
• PubChem CID: 6836

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6713698
• LogD (pH = 7.4): 3.6713698
• Log P: 3.6713698
• Molar Refractivity: 63.1175 cm^3
• Polarizability: 26.929577 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-71°C; 68-70 °C(lit.); 68-70°C
• Boiling Point: 166°C/4mm
• Flash Point: 186°C(367°F)

Safety Information

• Storage Warning: Irritant
• RTECS: FE6225700
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• 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: 97%; 98%; 99%
• Empirical Formula (Hill Notation): C14H13N

DETAILS

MP Biomedicals - 05211726

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E16600

Features and Benefits
Can be used as a plasticizer in guest-host polymers to yield highly efficient photorefractive polymer composites.1
Packaging
100, 500 g in poly bottle