dodecanedioyl dichloride

• ChemBase ID: 145100
• Molecular Formular: C12H20Cl2O2
• Molecular Mass: 267.192
• Monoisotopic Mass: 266.08403524
• SMILES: C(CCCCCC(=O)Cl)CCCCC(=O)Cl
• Canonical SMILES: ClC(=O)CCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C12H20Cl2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2
• InChIKey: CNXXEPWXNDFGIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecanedioyl dichloride
• IUPAC Traditional name: dodecanedioyl dichloride
• Synonyms: Dodecanedioyl dichloride; 癸基二酰二氯

Database IDs

• CAS Number: 4834-98-4
• MDL Number: MFCD00012243
• PubChem SID: 24858495; 162239310
• PubChem CID: 2733242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2247257
• LogD (pH = 7.4): 4.2247257
• Log P: 4.2247257
• Molar Refractivity: 68.062 cm^3
• Polarizability: 26.742496 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140 °C/0.5 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.069 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.468(lit.)
• Vapor Pressure: <0.75 mmHg ( 20 °C)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-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%
• Linear Formula: ClCO(CH2)10COCl

DETAILS

Sigma Aldrich - 306665

Packaging
5, 25 g in glass bottle