1,9-dibromononane

• ChemBase ID: 70092
• Molecular Formular: C9H18Br2
• Molecular Mass: 286.04722
• Monoisotopic Mass: 283.97752458
• SMILES: C(CCCCCCCCBr)Br
• Canonical SMILES: BrCCCCCCCCCBr
• InChI: InChI=1S/C9H18Br2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
• InChIKey: WGAXVZXBFBHLMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,9-dibromononane
• IUPAC Traditional name: 1,9-dibromononane
• Synonyms: 1,9-Dibromononane; 1,9-Dibromononane; Nonamethylene dibromide; 九亚甲基二溴; 1,9-二溴壬烷

Database IDs

• CAS Number: 4549-33-1
• EC Number: 224-913-0
• MDL Number: MFCD00000279
• Beilstein Number: 1737598
• PubChem SID: 24893847; 24861062; 162035817
• PubChem CID: 20677

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.671661
• LogD (pH = 7.4): 4.671661
• Log P: 4.671661
• Molar Refractivity: 59.1376 cm^3
• Polarizability: 22.806591 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 285-288 °C(lit.); 285-288°C; 285-288°C
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.407; 1.407 g/mL at 25 °C(lit.); 1.410
• Refractive Index: 1.4955; 1.496; n20/D 1.496; n20/D 1.496(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 95+%; 97%
• Grade: purum
• Linear Formula: Br(CH2)9Br

DETAILS

Sigma Aldrich - D42402

Packaging
5, 25 g in glass bottle