1-bromononane

• ChemBase ID: 8740
• Molecular Formular: C9H19Br
• Molecular Mass: 207.15116
• Monoisotopic Mass: 206.06701261
• SMILES: C(CCCCCCCC)Br
• Canonical SMILES: CCCCCCCCCBr
• InChI: InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
• InChIKey: AYMUQTNXKPEMLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromononane
• IUPAC Traditional name: 1-bromo-N-nonane
• Synonyms: n-Nonyl bromide; 1-Bromononane; 1-Bromononane; Nonyl bromide; Nonyl bromide; 1-Bromononane; 壬基溴; 1-溴壬烷

Database IDs

• CAS Number: 693-58-3
• EC Number: 211-755-2
• MDL Number: MFCD00000278
• Beilstein Number: 1733632
• PubChem SID: 24850633; 24891994; 160972047
• PubChem CID: 12742

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5682526
• LogD (pH = 7.4): 4.5682526
• Log P: 4.5682526
• Molar Refractivity: 51.1744 cm^3
• Polarizability: 19.917692 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 200-201°C; 200-201°C; 201 °C(lit.); 201°C
• Flash Point: 194 °F; 90 °C; 90°C(194°F)
• Density: 1.084; 1.084 g/mL at 25 °C(lit.); 1.086
• Refractive Index: 1.4540; 1.4550; n20/D 1.454; n20/D 1.454(lit.)

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: true; 是
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H400
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P273
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: CH3(CH2)8Br

DETAILS

Sigma Aldrich - B74607

Packaging
25, 100, 500 g in glass bottle