1-bromo-4-chlorobutane

• ChemBase ID: 108919
• Molecular Formular: C4H8BrCl
• Molecular Mass: 171.46332
• Monoisotopic Mass: 169.94978994
• SMILES: ClCCCCBr
• Canonical SMILES: ClCCCCBr
• InChI: InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2
• InChIKey: NIDSRGCVYOEDFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-chlorobutane
• IUPAC Traditional name: butane, 1-bromo-4-chloro-
• Synonyms: 1-BROMO-4-CHLOROBUTANE; 1-Bromo-4-chlorobutane; Tetramethylene chlorobromide; Tetramethylene bromochloride; 氯溴化伸丁基; 1-溴-4-氯丁烷

Database IDs

• CAS Number: 6940-78-9
• EC Number: 230-089-3
• MDL Number: MFCD00001010
• Beilstein Number: 1098275
• PubChem SID: 24850174; 162094633; 24891894
• PubChem CID: 81364

CALCULATED PROPERTIES

• Log P: 2.2633224
• Molar Refractivity: 33.1491 cm^3
• Polarizability: 12.802337 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2633224
• LogD (pH = 7.4): 2.2633224

PROPERTIES

Physical Property

• Boiling Point: 175-176°C; 80-82 °C/30 mmHg(lit.)
• Flash Point: 140 °F; 60 °C; 60°C(140°F)
• Density: 1.488 g/mL at 25 °C(lit.); 1.489
• Refractive Index: 1.4875; n20/D 1.4875(lit.); n20/D 1.488

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 95+%; 99%
• Grade: purum
• Linear Formula: Cl(CH2)4Br

DETAILS

MP Biomedicals - 05209236

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B60800

Packaging
25, 100 g in glass bottle