1-(2-chloroethyl)-4-fluorobenzene

• ChemBase ID: 9612
• Molecular Formular: C8H8ClF
• Molecular Mass: 158.6005232
• Monoisotopic Mass: 158.02985616
• SMILES: c1(CCCl)ccc(F)cc1
• Canonical SMILES: ClCCc1ccc(cc1)F
• InChI: InChI=1S/C8H8ClF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
• InChIKey: LPUURRVXQCVXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethyl)-4-fluorobenzene
• IUPAC Traditional name: 1-(2-chloroethyl)-4-fluorobenzene
• Synonyms: 1-(2-Chloroethyl)-4-fluorobenzene; 2-(4-Fluorophenyl)ethyl chloride; 1-(2-Chloroethyl)-4-fluorobenzene; 4-Fluorophenethyl chloride; 1-(2-Chloroethyl)-4-fluorobenzene 97%; 1-(2-氯乙基)-4-氟苯

Database IDs

• CAS Number: 332-43-4
• EC Number: 206-364-9
• MDL Number: MFCD00155000
• Beilstein Number: 2079481
• PubChem SID: 160972919
• PubChem CID: 67622

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.991851
• LogD (pH = 7.4): 2.991851
• Log P: 2.991851
• Molar Refractivity: 40.8963 cm^3
• Polarizability: 15.429857 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-99°C/26mm; 98-99°C/26mm
• Density: 1.507
• Refractive Index: 1.507; 1.5077; 1.5080

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%