1-Bromoheptane

• CAS: 629-04-9
• Catalog Number: ACM629049
• Category: Bromine Series
• Molecular Weight: 179.1g/mol
• Molecular Formula: C7H15Br
• IUPAC Name: 1-bromoheptane
• Canonical SMILES: CCCCCCCBr
• InChI: InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
• InChI Key: LSXKDWGTSHCFPP-UHFFFAOYSA-N
• Boiling Point: 179.0 °C
• Melting Point: -58.0 °C
• Solubility: 3.71e-05 M
• Complexity: 35.4
• Covalently-Bonded Unit Count: 1
• EC Number: 211-068-8
• Exact Mass: 178.03571g/mol
• Formal Charge: 0
• Hazard Statements: H302-H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 8
• LogP: 4.36 (LogP)
• Monoisotopic Mass: 178.03571g/mol
• NSC Number: 7315
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 5
• Symbol: GHS07
• Vapor Pressure: 1.27 mmHg
• XLogP3: 4.4