decanedioyl dichloride

• ChemBase ID: 104613
• Molecular Formular: C10H16Cl2O2
• Molecular Mass: 239.13884
• Monoisotopic Mass: 238.05273511
• SMILES: ClC(=O)CCCCCCCCC(=O)Cl
• Canonical SMILES: ClC(=O)CCCCCCCCC(=O)Cl
• InChI: InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
• InChIKey: WMPOZLHMGVKUEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decanedioyl dichloride
• IUPAC Traditional name: decanedioyl dichloride
• Synonyms: Sebacyl chloride; SEBACOYL CHLORIDE; Sebacoyl chloride; Decanedioyl dichloride; Octane-1,8-dicarbonyl chloride; 氯化癸二酰; 癸二酰氯

Database IDs

• CAS Number: 111-19-3
• EC Number: 203-843-4
• MDL Number: MFCD00000770
• Beilstein Number: 1365665
• PubChem SID: 24888277; 24854167; 162092788
• PubChem CID: 66072

CALCULATED PROPERTIES

• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3355882
• LogD (pH = 7.4): 3.3355882
• Log P: 3.3355882
• Molar Refractivity: 58.86 cm^3
• Polarizability: 23.087458 Å^3

PROPERTIES

Physical Property

• Apperance: yellow liquid
• Melting Point: -2°C; -5°C; -5--3 °C(lit.)
• Boiling Point: 161°C/14mm; 168 °C/12 mmHg(lit.); 168°C
• Flash Point: 113 °C; 165°C(329°F); 235.4 °F
• Density: 1.119 g/mL at 20 °C; 1.121; 1.121 g/ml; 1.121 g/mL at 25 °C(lit.)
• Refractive Index: 1.4680; n20/D 1.468; n20/D 1.468(lit.)

Safety Information

• Storage Condition: 2-8°C, Desiccate
• Storage Warning: Moisture Sensitive
• RTECS: HD8454250
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 1760; 3265; UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II; III
• Australian Hazchem: 2X
• Risk Statements: 22-24-34; R:14-34
• Safety Statements: 26-36/37/39-45; S:27/28-30-36/37/39-45
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H310-H314-H318; H302-H310-H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P280-P302 + P350-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
• Storage Temperature: 2-8°C

Product Information

• Purity: >90%; ≥95.0% (GC); ≥97%; ≥99.0% (T); 92%; 97%; 99%
• Grade: CP; puriss.; purum; technical grade
• Linear Formula: ClCO(CH2)8COCl

DETAILS

MP Biomedicals - 02156596

Purity: >90%
Faint yellow liquid.
1 ml = approx. 1.12 g

Sigma Aldrich - 236365

Packaging
10, 50 g in glass bottle

Sigma Aldrich - 131784

Other Notes
may contain a small amount of hydrolysis products
Packaging
50, 250, 500 g in glass bottle