1,10-dibromodecane

• ChemBase ID: 148810
• Molecular Formular: C10H20Br2
• Molecular Mass: 300.0738
• Monoisotopic Mass: 297.99317464
• SMILES: C(CCCCCBr)CCCCBr
• Canonical SMILES: BrCCCCCCCCCCBr
• InChI: InChI=1S/C10H20Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
• InChIKey: GTQHJCOHNAFHRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-dibromodecane
• IUPAC Traditional name: 1,10-dibromodecane
• Synonyms: Decamethylene dibromide; 1,10-Dibromodecane; 溴化十次甲基; 1,10-二溴癸烷

Database IDs

• CAS Number: 4101-68-2
• EC Number: 223-871-0
• MDL Number: MFCD00000222
• Beilstein Number: 506156
• PubChem SID: 24860903; 24893803; 162242984
• PubChem CID: 221483

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1162295
• LogD (pH = 7.4): 5.1162295
• Log P: 5.1162295
• Molar Refractivity: 63.7386 cm^3
• Polarizability: 24.60548 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 25-27 °C(lit.); 26-30°C; 26-31 °C
• Boiling Point: 157-159°C/14mm; 160 °C/15 mmHg(lit.)
• Flash Point: >110°C(230°F); 112 °C; 233.6 °F
• Density: 1.335 g/mL at 25 °C(lit.); 1.340
• Refractive Index: 1.4930; n20/D 1.4912(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 97%
• Grade: purum
• Linear Formula: Br(CH2)10Br

DETAILS

Sigma Aldrich - D39800

Packaging
100 g in glass bottle