10-bromodecan-1-ol

• ChemBase ID: 131636
• Molecular Formular: C10H21BrO
• Molecular Mass: 237.17714
• Monoisotopic Mass: 236.07757729
• SMILES: C(CCCCCBr)CCCCO
• Canonical SMILES: OCCCCCCCCCCBr
• InChI: InChI=1S/C10H21BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2
• InChIKey: LGZMUUBPTDRQQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-bromodecan-1-ol
• IUPAC Traditional name: 10-bromodecan-1-ol
• Synonyms: Decamethylene bromohydrin; 10-Bromo-1-decanol; 10-BroModecanol; 10-溴-1-癸醇

Database IDs

• CAS Number: 53463-68-6
• EC Number: 258-572-4
• MDL Number: MFCD00041681
• Beilstein Number: 1738593
• PubChem SID: 162225913; 24858824; 24850246
• PubChem CID: 104507

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5761423
• LogD (pH = 7.4): 3.5761425
• Log P: 3.5761425
• Molar Refractivity: 57.7041 cm^3
• Polarizability: 22.417963 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 165-169 °C/10 mmHg(lit.); 165-169°C/10mm
• Flash Point: >110°C(230°F); 109 °C; 228.2 °F
• Density: 1.09 g/mL at 25 °C(lit.); 1.19 g/mL at 25 °C(lit.); 1.190
• Refractive Index: 1.4760; n20/D 1.476(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95.0% (GC); 90%; 95%; 97%
• Grade: purum; technical grade
• Linear Formula: Br(CH2)10OH

DETAILS

Sigma Aldrich - 310891

Packaging
1, 5 g in glass bottle