(1R)-1-(4-fluorophenyl)ethan-1-amine

• ChemBase ID: 97102
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: N[C@@H](c1ccc(cc1)F)C
• Canonical SMILES: C[C@H](c1ccc(cc1)F)N
• InChI: InChI=1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
• InChIKey: QGCLEUGNYRXBMZ-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-fluorophenyl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(4-fluorophenyl)ethanamine
• Synonyms: (R)-4-Fluoro-alpha-methylbenzylamine; (R)-(+)-1-(4-Fluorophenyl)ethylamine; (1R)-(+)-1-(4-Fluorophenyl)ethylamine 97%; (8R)-1-(4-Fluorophenyl)ethylamine; (R)-4-Fluoro-α-methylbenzylamine; (R)-1-(4-Fluorophenyl)ethanaMine; (R)-(+)-1-(4-氟苯基)乙胺; 8R)-1-(4-氟苯基)乙胺; (R)-4-氟-α-甲基苄胺

Database IDs

• CAS Number: 374898-01-8
• MDL Number: MFCD03093090
• Beilstein Number: 8614058
• PubChem SID: 162083724
• PubChem CID: 6950187

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3438475
• LogD (pH = 7.4): -0.53967154
• Log P: 1.6582912
• Molar Refractivity: 39.1666 cm^3
• Polarizability: 15.18051 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -30°C; -30°C
• Boiling Point: 76°C/22mm; 76°C/22mm
• Flash Point: 68°C(154°F)
• Density: 1.03; 1.030
• Refractive Index: 1.501; 1.5020
• Optical Rotation: +33 (neat)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34-51/53; 34
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H411; H314-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P273-P280-P305 + P351 + P338-P310

Product Information

• Purity: ≥98.5% (GC); 97%; ChiPros 99%, ee 98%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥98.5%
• Empirical Formula (Hill Notation): C8H10FN

DETAILS

Sigma Aldrich - 727024

Packaging
5, 25 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE