1,5-dibromopentane

• ChemBase ID: 109140
• Molecular Formular: C5H10Br2
• Molecular Mass: 229.9409
• Monoisotopic Mass: 227.91492432
• SMILES: BrCCCCCBr
• Canonical SMILES: BrCCCCCBr
• InChI: InChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2
• InChIKey: IBODDUNKEPPBKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromopentane
• IUPAC Traditional name: pentane, 1,5-dibromo-
• Synonyms: 1,5-DIBROMOPENTANE; Pentamethylene dibromide; 1,5-Dibromopentane; 五亚甲基二溴; 1,5-二溴戊烷

Database IDs

• CAS Number: 111-24-0
• EC Number: 203-849-7
• MDL Number: MFCD00000268
• Beilstein Number: 1209245
• PubChem SID: 24847812; 162094511
• PubChem CID: 8100

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8933861
• LogD (pH = 7.4): 2.8933861
• Log P: 2.8933861
• Molar Refractivity: 40.7336 cm^3
• Polarizability: 15.681076 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -34 °C(lit.); -34°C
• Boiling Point: 110 °C/15 mmHg(lit.); 224°C
• Flash Point: 174.2 °F; 79 °C; 79°C(174°F)
• Density: 1.688; 1.688 g/mL at 25 °C(lit.)
• Refractive Index: 1.5122; n20/D 1.512; n20/D 1.512(lit.)
• Vapor Density: 8 (vs air)

Safety Information

• RTECS: SA0320000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 23-26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; 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: ≥98.0% (GC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: Br(CH2)5Br

DETAILS

MP Biomedicals - 05209971

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 128007

Packaging
100, 500 g in glass bottle
Application
Source for 1,5-di-Grignard reagent.1,2