11-bromoundecan-1-ol

• ChemBase ID: 149153
• Molecular Formular: C11H23BrO
• Molecular Mass: 251.20372
• Monoisotopic Mass: 250.09322736
• SMILES: C(CCCCCO)CCCCCBr
• Canonical SMILES: OCCCCCCCCCCCBr
• InChI: InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
• InChIKey: XFGANBYCJWQYBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-bromoundecan-1-ol
• IUPAC Traditional name: 11-bromoundecan-1-ol
• Synonyms: 11-Bromoundecanol; 11-Bromoundecan-1-ol; Undecamethylene bromohydrin; 11-Bromo-1-undecanol; 11-BroMo-1-undecanol; 11-溴十一醇; 11-溴代十一醇; 11-溴-1-十一醇

Database IDs

• CAS Number: 1611-56-9
• EC Number: 216-554-3
• MDL Number: MFCD00004752
• Beilstein Number: 1741180
• PubChem SID: 162243321; 24851093; 24851196
• PubChem CID: 74163

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.020711
• LogD (pH = 7.4): 4.020711
• Log P: 4.020711
• Molar Refractivity: 62.3051 cm^3
• Polarizability: 24.242018 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-48 °C; 46-49 °C(lit.); 46-49°C
• Boiling Point: 165-170 °C/1 mmHg(lit.); 165-170°C/1mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (AT); 97%; 98%
• Grade: purum
• Linear Formula: Br(CH2)11OH

DETAILS

Sigma Aldrich - 184136

Packaging
10, 50 g in glass bottle