2-bromoprop-1-ene

• ChemBase ID: 149451
• Molecular Formular: C3H5Br
• Molecular Mass: 120.9758
• Monoisotopic Mass: 119.95746216
• SMILES: CC(=C)Br
• Canonical SMILES: CC(=C)Br
• InChI: InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3
• InChIKey: PHMRPWPDDRGGGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoprop-1-ene
• IUPAC Traditional name: 1-propene, 2-bromo-
• Synonyms: Isopropenyl bromide; 2-Bromopropene; 2-Bromopropene; 异丙烯基溴; 2-溴丙烯

Database IDs

• CAS Number: 557-93-7
• EC Number: 209-185-4
• MDL Number: MFCD00000140
• Beilstein Number: 1731926
• PubChem SID: 162243616; 24892022
• PubChem CID: 11202

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6610538
• LogD (pH = 7.4): 1.6610538
• Log P: 1.6610538
• Molar Refractivity: 23.4145 cm^3
• Polarizability: 8.818868 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -87°C
• Boiling Point: 47-49 °C(lit.); 47-49°C
• Flash Point: 39.2 °F; 4 °C; 4°C(39°F)
• Density: 1.362; 1.362 g/mL at 25 °C(lit.)
• Refractive Index: 1.4430; n20/D 1.4436(lit.)
• Vapor Pressure: 5.05 psi ( 20 °C)

Safety Information

• Storage Warning: Light Sensitive
• RTECS: UC7085000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38
• Safety Statements: 23-26-36; 9-16-26-29-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%; 99%, stab.
• Linear Formula: CH3C(Br)=CH2

DETAILS

Sigma Aldrich - B78254

Packaging
10, 50 g in glass bottle