6-bromohex-1-ene

• ChemBase ID: 10303
• Molecular Formular: C6H11Br
• Molecular Mass: 163.05554
• Monoisotopic Mass: 162.00441235
• SMILES: BrCCCCC=C
• Canonical SMILES: BrCCCCC=C
• InChI: InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2
• InChIKey: RIMXEJYJXDBLIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromohex-1-ene
• IUPAC Traditional name: 6-bromohex-1-ene
• Synonyms: Hex-5-en-1-yl bromide; 6-Bromohex-1-ene 96%; 6-Bromo-1-hexene; 6-Bromo-1-hexene; 6-溴-1-己烯

Database IDs

• CAS Number: 2695-47-8
• EC Number: 220-267-9
• MDL Number: MFCD00000269
• Beilstein Number: 506203
• PubChem SID: 24850443; 160973610; 24854859
• PubChem CID: 75906

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9305584
• LogD (pH = 7.4): 2.9305584
• Log P: 2.9305584
• Molar Refractivity: 37.4155 cm^3
• Polarizability: 14.203964 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 147°C; 47-51 °C/16 mmHg(lit.); 47-51°C/16mm; 48-49°C/16mm
• Flash Point: 129.2 °F; 54 °C; 54°C; 54°C(129°F)
• Density: 1.217; 1.22 g/mL at 25 °C(lit.)
• Refractive Index: 1.4652; n20/D 1.465(lit.); n20/D 1.466

Safety Information

• Storage Warning: Flammable/Irritant/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon; IRRITANT, FLAMMABLE
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38; 61-10-36/37/38
• Safety Statements: 23-26-37; 26-36; 53-26-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H226-H315-H319-H335; H226-H315-H319-H335-H360D
• GHS Precautionary statements: P201-P261-P305 + P351 + P338-P308 + P313; P261-P280G-P305+P351+P338; 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

Product Information

• Purity: ≥90% (GC); 95%; 97%
• Grade: technical
• Impurities: <3% DMF; 6-bromo-2-hexene (cis+trans)
• Contains: silver wool as stabilizer
• Linear Formula: Br(CH2)4CH=CH2

DETAILS

Sigma Aldrich - 247219

Application
Used in a simple, direct preparation of 4-alkenylbenzonitriles via anionic reduced forms of terephthalonitrile in liquid ammonia.1
Packaging
1, 5 g in glass bottle