octanedioyl dichloride

• ChemBase ID: 150844
• Molecular Formular: C8H12Cl2O2
• Molecular Mass: 211.08568
• Monoisotopic Mass: 210.02143498
• SMILES: C(CCCC(=O)Cl)CCC(=O)Cl
• Canonical SMILES: ClC(=O)CCCCCCC(=O)Cl
• InChI: InChI=1S/C8H12Cl2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h1-6H2
• InChIKey: PUIBKAHUQOOLSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octanedioyl dichloride
• IUPAC Traditional name: octanedioyl dichloride
• Synonyms: Suberic acid dichloride; Octanedioic acid dichloride; Suberoyl chloride; Octanedioyl chloride; Suberyl chloride; 1,8-二辛酰氯; 辛二酰氯

Database IDs

• CAS Number: 10027-07-3
• MDL Number: MFCD00000764
• PubChem SID: 24854111; 162245004
• PubChem CID: 534653

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.446451
• LogD (pH = 7.4): 2.446451
• Log P: 2.446451
• Molar Refractivity: 49.658 cm^3
• Polarizability: 19.443777 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 162-163 °C/15 mmHg(lit.); 162-163°C/15mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.172; 1.172 g/mL at 25 °C(lit.)
• Refractive Index: 1.4680; n20/D 1.468(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3094
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34; 34-14
• Safety Statements: 26-27-36/37/39-3/7; 26-27-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-EUH014
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%
• Linear Formula: ClCO(CH2)6COCl

DETAILS

Sigma Aldrich - 235547

Packaging
5, 25 g in glass bottle