5-bromopent-1-ene

• ChemBase ID: 32160
• Molecular Formular: C5H9Br
• Molecular Mass: 149.02896
• Monoisotopic Mass: 147.98876229
• SMILES: C=CCCCBr
• Canonical SMILES: BrCCCC=C
• InChI: InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2
• InChIKey: LPNANKDXVBMDKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromopent-1-ene
• IUPAC Traditional name: 1-pentene, 5-bromo-
• Synonyms: 5-Bromo-1-pentene; (Pent-4-en-1yl) bromide; 5-Bromopent-1-ene; 1-BROMO-4-PENTENE; 5-Bromo-1-pentene; 5-溴-1-戊烯

Database IDs

• CAS Number: 1119-51-3
• EC Number: 214-281-4
• MDL Number: MFCD00000264; MFCD0000-364
• Beilstein Number: 506077
• PubChem SID: 160995467; 24855339
• PubChem CID: 70704

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4859898
• LogD (pH = 7.4): 2.4859898
• Log P: 2.4859898
• Molar Refractivity: 32.8145 cm^3
• Polarizability: 12.393583 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 126-127 °C/765 mmHg(lit.); 126-127°C; 126-127°C
• Flash Point: 30°C(86°F); 31 °C; 31°C; 87.8 °F
• Density: 1.258; 1.258 g/mL at 25 °C(lit.); 1.259
• Refractive Index: 1.4639; n20/D 1.463; n20/D 1.463(lit.)
• Hydrophobicity(logP): 2.708

Safety Information

• Storage Warning: FLAMMABLE; Flammable/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 95%; 96%; 97%; 98%
• Grade: purum
• Contains: silver wool as stabilizer
• Linear Formula: Br(CH2)3CH=CH2

DETAILS

MP Biomedicals - 05203768

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 253901

Application
Staring material used in recent syntheses of DL-histrionicotoxin1 and benzophenone-containing fatty acids.2
Packaging
5, 25 g in glass bottle