9-bromononan-1-ol

• ChemBase ID: 87533
• Molecular Formular: C9H19BrO
• Molecular Mass: 223.15056
• Monoisotopic Mass: 222.06192723
• SMILES: OCCCCCCCCCBr
• Canonical SMILES: OCCCCCCCCCBr
• InChI: InChI=1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
• InChIKey: USJDOLXCPFASNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-bromononan-1-ol
• IUPAC Traditional name: 9-bromononan-1-ol
• Synonyms: Nonamethylene bromohydrin; 9-Bromononan-1-ol; 9-Bromo-1-nonanol; 1-Hydroxy-9-bromononane; 9-Bromo-1-nonanol; 9-Bromononanol; 伸壬基溴茚烷醇; 9-溴-1-壬醇

Database IDs

• CAS Number: 55362-80-6
• MDL Number: MFCD00063348
• Beilstein Number: 1737525
• PubChem SID: 24868427; 24850643; 162074573
• PubChem CID: 108700

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1315737
• LogD (pH = 7.4): 3.1315737
• Log P: 3.1315737
• Molar Refractivity: 53.1031 cm^3
• Polarizability: 20.597078 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: CDCl3; Dichloromethane; Ethyl Acetate; Hexane; Methanol
• Apperance: Light Yellow Solid
• Melting Point: 33-35 °C(lit.); 33-35°C
• Boiling Point: 125-126 °C/2 mmHg(lit.); 125-126°C/2mm
• Flash Point: 109 °C; 228.2 °F

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥95.0% (GC); 95%; 95+%; 98%
• Grade: purum
• Linear Formula: Br(CH2)9OH

DETAILS

Sigma Aldrich - 448729

Packaging
5, 25 g in glass bottle