bromocycloheptane

• ChemBase ID: 109625
• Molecular Formular: C7H13Br
• Molecular Mass: 177.08212
• Monoisotopic Mass: 176.02006242
• SMILES: BrC1CCCCCC1
• Canonical SMILES: BrC1CCCCCC1
• InChI: InChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2
• InChIKey: LOXORFRCPXUORP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromocycloheptane
• IUPAC Traditional name: bromocycloheptane
• Synonyms: BROMOCYCLOHEPTANE; Cycloheptyl bromide; Bromocycloheptane; 环庚基溴; 溴代环庚烷

Database IDs

• CAS Number: 2404-35-5
• EC Number: 219-294-9
• MDL Number: MFCD00004149
• Beilstein Number: 1098389
• PubChem SID: 162095313; 24893209
• PubChem CID: 16992

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2653491
• LogD (pH = 7.4): 3.2653491
• Log P: 3.2653491
• Molar Refractivity: 39.911 cm^3
• Polarizability: 15.573501 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71-72 °C/10 mmHg(lit.); 71-72°C/10mm
• Flash Point: 155 °F; 68 °C; 68°C(154°F)
• Density: 1.289 g/mL at 25 °C(lit.); 1.300
• Refractive Index: 1.5052; n20/D 1.5052(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C7H13Br

DETAILS

MP Biomedicals - 05211909

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C99701

Packaging
25 g in glass bottle