(2E)-1-bromopent-2-ene

• ChemBase ID: 140265
• Molecular Formular: C5H9Br
• Molecular Mass: 149.02896
• Monoisotopic Mass: 147.98876229
• SMILES: CC/C=C/CBr
• Canonical SMILES: CC/C=C/CBr
• InChI: InChI=1S/C5H9Br/c1-2-3-4-5-6/h3-4H,2,5H2,1H3/b4-3+
• InChIKey: FTBPZRNURKMEFD-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-1-bromopent-2-ene
• IUPAC Traditional name: (2E)-1-bromopent-2-ene
• Synonyms: 1-Bromo-2-pentene, predominantly trans; 1-溴-2-戊烯，主要为反式

Database IDs

• CAS Number: 7348-71-2
• MDL Number: MFCD00075179
• PubChem SID: 24860774; 162234509
• PubChem CID: 5463000

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5839636
• LogD (pH = 7.4): 2.5839636
• Log P: 2.5839636
• Molar Refractivity: 33.733 cm^3
• Polarizability: 12.395633 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122 °C(lit.)
• Flash Point: 23 °C; 73.4 °F
• Density: 1.26 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4785(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Contains: ~50 ppm hydroquinone as stabilizer
• Linear Formula: C2H5CH=CHCH2Br

DETAILS

Sigma Aldrich - 340111

Application
Used to prepare pheromones.1
Packaging
1, 5 g in ampule