9H-carbazole-9-carbonyl chloride

• ChemBase ID: 156748
• Molecular Formular: C13H8ClNO
• Molecular Mass: 229.66172
• Monoisotopic Mass: 229.02944156
• SMILES: c1ccc2c(c1)c1ccccc1n2C(=O)Cl
• Canonical SMILES: ClC(=O)n1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H8ClNO/c14-13(16)15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
• InChIKey: RCENRFKQKSIRLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazole-9-carbonyl chloride
• IUPAC Traditional name: carbazole-9-carbonyl chloride
• Synonyms: 9-(Chloroformyl)carbazole; Carbazole-9-carbonyl chloride

Database IDs

• CAS Number: 73500-82-0
• MDL Number: MFCD00059689
• Beilstein Number: 161868
• PubChem SID: 162250885
• PubChem CID: 3262261

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4174216
• LogD (pH = 7.4): 3.4174216
• Log P: 3.4174216
• Molar Refractivity: 63.4555 cm^3
• Polarizability: 26.851156 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-104 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC)
• Grade: for fluorescence; purum
• Empirical Formula (Hill Notation): C13H8ClNO

DETAILS

Sigma Aldrich - 21795

Application
Reagent used for the fluorogenic labeling of amino acids.