2-bromobut-1-ene

• ChemBase ID: 109498
• Molecular Formular: C4H7Br
• Molecular Mass: 135.00238
• Monoisotopic Mass: 133.97311222
• SMILES: CCC(=C)Br
• Canonical SMILES: CCC(=C)Br
• InChI: InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3
• InChIKey: HQMXRIGBXOFKIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromobut-1-ene
• IUPAC Traditional name: 1-butene, 2-bromo-
• Synonyms: 2-BROMO-1-BUTENE; 2-Bromo-1-butene; 2-溴-1-丁烯

Database IDs

• CAS Number: 23074-36-4
• EC Number: 245-412-3
• MDL Number: MFCD00039178
• PubChem SID: 162095221
• PubChem CID: 89990

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.183576
• LogD (pH = 7.4): 2.183576
• Log P: 2.183576
• Molar Refractivity: 27.9385 cm^3
• Polarizability: 10.608378 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 100°C

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11; R:10
• Safety Statements: 7-33-43-60; S:9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Hazard statements: H224
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05211311

MP Biomedicals Rare Chemical collection