7-bromo-9H-fluoren-2-amine

• ChemBase ID: 84916
• Molecular Formular: C13H10BrN
• Molecular Mass: 260.1292
• Monoisotopic Mass: 258.99966133
• SMILES: Nc1cc2c(cc1)c1ccc(cc1C2)Br
• Canonical SMILES: Nc1ccc2c(c1)Cc1c2ccc(c1)Br
• InChI: InChI=1S/C13H10BrN/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,15H2
• InChIKey: RJWYTISHBMNMOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-9H-fluoren-2-amine
• IUPAC Traditional name: 9H-fluoren-2-amine, 7-bromo-
• Synonyms: 7-bromo-9H-fluoren-2-amine; 2-Amino-7-bromofluorene; 2-氨基-7-溴芴

Database IDs

• CAS Number: 6638-60-4
• MDL Number: MFCD00001127
• PubChem SID: 162072032; 24858067
• PubChem CID: 23126

CALCULATED PROPERTIES

• Acid pKa: 17.623951
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.666833
• LogD (pH = 7.4): 3.6786928
• Log P: 3.6788461
• Molar Refractivity: 67.1966 cm^3
• Polarizability: 26.086073 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148-149 °C(lit.)

Safety Information

• RTECS: LL5150050
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%
• Empirical Formula (Hill Notation): C13H10BrN

DETAILS

Sigma Aldrich - 299936

Packaging
1 g in glass bottle