1-(3-chloropropoxy)-4-fluorobenzene

• ChemBase ID: 94404
• Molecular Formular: C9H10ClFO
• Molecular Mass: 188.6265032
• Monoisotopic Mass: 188.04042084
• SMILES: Fc1ccc(cc1)OCCCCl
• Canonical SMILES: ClCCCOc1ccc(cc1)F
• InChI: InChI=1S/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
• InChIKey: DFFWYMMOMUTKOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chloropropoxy)-4-fluorobenzene
• IUPAC Traditional name: 1-(3-chloropropoxy)-4-fluorobenzene
• Synonyms: 1-(3-Chloropropoxy)-4-fluorobenzene; 3-Chloropropyl 4-fluorophenyl ether; 3-(4-Fluorophenoxypropyl) chloride; 1-(3-Chloropropoxy)-4-fluorobenzene; 1-(3-氯丙氧基)-4-氟苯

Database IDs

• CAS Number: 1716-42-3
• EC Number: 217-000-3
• MDL Number: MFCD00018986
• PubChem SID: 162081058
• PubChem CID: 74391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6827261
• LogD (pH = 7.4): 2.6827261
• Log P: 2.6827261
• Molar Refractivity: 46.9463 cm^3
• Polarizability: 18.053722 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%