hexanedioyl dichloride

• ChemBase ID: 110015
• Molecular Formular: C6H8Cl2O2
• Molecular Mass: 183.03252
• Monoisotopic Mass: 181.99013486
• SMILES: ClC(=O)CCCCC(=O)Cl
• Canonical SMILES: ClC(=O)CCCCC(=O)Cl
• InChI: InChI=1S/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2
• InChIKey: PWAXUOGZOSVGBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexanedioyl dichloride
• IUPAC Traditional name: adipoyl chloride
• Synonyms: Adipoyl chloride; Adipoyl dichloride; Adipoyl chloride; Adipyl chloride; Adipoyl chloride; Adipoyl dichloride; ADIPYL CHLORIDE; 1,4-Butanedicarbonyl chloride; Hexanedioyl dichloride; 氯化己二酰; 己二酰氯

Database IDs

• CAS Number: 111-50-2
• EC Number: 203-876-4
• MDL Number: MFCD00000759
• Beilstein Number: 507709
• PubChem SID: 162095780; 24850131; 24845238
• PubChem CID: 61034
• Chemspider ID: 54993
• Wikipedia Title: Adipoyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5573137
• LogD (pH = 7.4): 1.5573137
• Log P: 1.5573137
• Molar Refractivity: 40.456 cm^3
• Polarizability: 15.817253 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105-107 °C at 2 mmHg; 105-107 °C/2 mmHg(lit.); 105-107°C/2mm
• Flash Point: >110°C(230°F); 112 °C; 160 °C (closed cup); 233.6 °F
• Density: 1.25 g/cm3; 1.255; 1.259 g/mL at 25 °C(lit.)
• Refractive Index: 1.4705; n20/D 1.471(lit.); n20/D 1.472

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34; 34
• Safety Statements: 26-36/37/39-45; 8-26-30-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• NFPA704:
  

  1

  3

  2
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥98.0 %; ≥99.0% (T); 98%
• Grade: purum; SAJ first grade
• Linear Formula: ClCO(CH2)4COCl

DETAILS

MP Biomedicals - 05213388

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 165212

Application
Used in a preparaton of biphenyl end-capped liquid crystals.1
Other Notes
Material may darken in storage
Packaging
5, 25, 100 g in glass bottle

Sigma Aldrich - 02190

Caution
may discolor to yellow-brown on storage