1-chloro-4-(4-chlorobutoxy)butane

• ChemBase ID: 107825
• Molecular Formular: C8H16Cl2O
• Molecular Mass: 199.11804
• Monoisotopic Mass: 198.05782049
• SMILES: ClCCCCOCCCCCl
• Canonical SMILES: ClCCCCOCCCCCl
• InChI: InChI=1S/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
• InChIKey: PVBMXMKIKMJQRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(4-chlorobutoxy)butane
• IUPAC Traditional name: butane, 1,1'-oxybis(4-chloro-
• Synonyms: Bis(4-chlorobutyl) ether; 4-Chlorobutyl ether; 4-Chlorobutyl ether; 4,4'-Dichlorodibutyl ether; Bis(4-chlorobutyl) ether; 4,4'-DICHLORODIBUTYL ETHER; 4-CHLORO-n-BUTYL ETHER; 二-(4-氯丁基)醚; 双(4-氯丁基)醚

Database IDs

• CAS Number: 6334-96-9
• EC Number: 228-713-4
• MDL Number: MFCD00019006
• Beilstein Number: 1739861
• PubChem SID: 24871822; 162094365
• PubChem CID: 22800

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6081738
• LogD (pH = 7.4): 2.6081738
• Log P: 2.6081738
• Molar Refractivity: 50.7191 cm^3
• Polarizability: 19.836037 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 129-131 °C/10 mmHg(lit.); 129-131°C/10mm
• Flash Point: 113 °C; 235.4 °F
• Density: 1.07 g/ml; 1.081; 1.081 g/mL at 25 °C(lit.)
• Refractive Index: 1.4580; n20/D 1.459(lit.)

Safety Information

• RTECS: KN0400000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 22-36/38
• Safety Statements: 23-26-36/37; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%; 99%
• Linear Formula: [Cl(CH2)4]2O

DETAILS

MP Biomedicals - 05207374

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05205154

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 482331

Packaging
25 mL in glass bottle