1-Bromo-4-Propylbenzene

• CAS: 588-93-2
• Catalog Number: ACM588932
• Category: Bromine Series
• Molecular Weight: 199.09
• Molecular Formula: C9H11Br
• Synonyms: 4-Propyl-1-bromobenzene
• IUPAC Name: 1-bromo-4-propylbenzene
• Canonical SMILES: CCCC1=CC=C(C=C1)Br
• InChI: InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
• InChI Key: NUPWGLKBGVNSJX-UHFFFAOYSA-N
• Boiling Point: 225 °C
• Melting Point: -41.4 °C
• Density: 1.286 g/ml
• Appearance: Clear colorless to slightly yellow liquid
• Complexity: 82.7
• Covalently-Bonded Unit Count: 1
• EC Number: 454-790-0
• Exact Mass: 198.00441g/mol
• Formal Charge: 0
• Hazard Statements: H314
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 198.00441g/mol
• NSC Number: 97222
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 2
• Symbol: GHS05
• XLogP3: 4.2