4-fluoro-2,6-dimethylaniline

• ChemBase ID: 98485
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: Nc1c(cc(cc1C)F)C
• Canonical SMILES: Fc1cc(C)c(c(c1)C)N
• InChI: InChI=1S/C8H10FN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
• InChIKey: MPNDLCBMLBACDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2,6-dimethylaniline
• IUPAC Traditional name: 4-fluoro-2,6-dimethylaniline
• Synonyms: 4-Fluoro-2,6-dimethylphenylamine; 2,6-Dimethyl-4-fluoroaniline; 4-Fluoro-2,6-dimethylaniline; 4-氟-2,6-二甲基苯胺

Database IDs

• CAS Number: 392-70-1
• MDL Number: MFCD03792669
• PubChem SID: 162084906
• PubChem CID: 1403908

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3076973
• LogD (pH = 7.4): 2.3137863
• Log P: 2.3138645
• Molar Refractivity: 41.0572 cm^3
• Polarizability: 14.652098 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5345

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%