1-bromo-3-fluoropropane

• ChemBase ID: 138887
• Molecular Formular: C3H6BrF
• Molecular Mass: 140.9821432
• Monoisotopic Mass: 139.96369041
• SMILES: C(CF)CBr
• Canonical SMILES: FCCCBr
• InChI: InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2
• InChIKey: VNHWPVLQRKKKRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-fluoropropane
• IUPAC Traditional name: 1-bromo-3-fluoropropane
• Synonyms: 1-Bromo-3-fluoropropane; 1-bromo-3-fluoropropane; 1-溴-3-氟丙烷

Database IDs

• CAS Number: 352-91-0
• MDL Number: MFCD00039287
• PubChem SID: 162233138
• PubChem CID: 67699

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2824595
• LogD (pH = 7.4): 1.2824595
• Log P: 1.2824595
• Molar Refractivity: 23.7614 cm^3
• Polarizability: 9.030492 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 99-101 °C(lit.)
• Flash Point: 24 °C; 75.2 °F
• Density: 1.538 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.431(lit.)
• Hydrophobicity(logP): 1.407

Safety Information

• RTECS: TX4122500
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-22-59
• Safety Statements: 26-59
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H420
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%; 98%
• Linear Formula: F(CH2)3Br