2,3-dibromobutane

• ChemBase ID: 146017
• Molecular Formular: C4H8Br2
• Molecular Mass: 215.91432
• Monoisotopic Mass: 213.89927426
• SMILES: CC(C(C)Br)Br
• Canonical SMILES: CC(C(Br)C)Br
• InChI: InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3
• InChIKey: BXXWFOGWXLJPPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromobutane
• IUPAC Traditional name: 2,3-dibromobutane
• Synonyms: (±)-2,3-Dibromobutane; 2,3-Dibromobutane, (±) + meso; 2,3-Dibromobutane; 2,3-Dibromobutane, mixture of (±) and meso; (±)-2,3-二溴丁烷; 2,3-二溴丁烷, (+/-) + 内消旋; 2,3-二溴丁烷，外消旋体与内消旋体的混合物

Database IDs

• CAS Number: 598-71-0; 5408-86-6
• EC Number: 226-476-1
• MDL Number: MFCD00000146
• Beilstein Number: 1718916
• PubChem SID: 162240217; 24879371; 24858791
• PubChem CID: 21508

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7046452
• LogD (pH = 7.4): 2.7046452
• Log P: 2.7046452
• Molar Refractivity: 35.4602 cm^3
• Polarizability: 13.929261 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-108 °C/160 mmHg(lit.); 166-167°C; 73 °C/47 mmHg(lit.)
• Flash Point: 105 °C; 113 °C; 123°C(253°F); 221 °F; 235.4 °F
• Density: 1.756 g/mL at 25 °C(lit.); 1.760; 1.786 g/mL at 25 °C(lit.)
• Refractive Index: 1.5126; n20/D 1.5126(lit.); n20/D 1.515(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 36; 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H315-H319-H335; H319
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 98%; 98+%; 99%
• Linear Formula: CH3CH(Br)CH(Br)CH3

DETAILS

Sigma Aldrich - 310387

Packaging
50 g in glass bottle

Sigma Aldrich - 554057

Packaging
25 g in glass bottle