dodecanoyl chloride

• ChemBase ID: 104225
• Molecular Formular: C12H23ClO
• Molecular Mass: 218.76342
• Monoisotopic Mass: 218.14374304
• SMILES: CCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
• InChIKey: NQGIJDNPUZEBRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecanoyl chloride
• IUPAC Traditional name: dodecanoyl chloride
• Synonyms: Lauroyl chloride; Dodecanoyl chloride; Dodecanoic Acid Chloride; Lauric Acid Chloride; n-Dodecanoyl Chloride; Dodecanoyl chloride; LAUROYL CHLORIDE; Lauroyl chloride; 月桂酰氯; 十二酰氯; 十二烷酰氯; 月桂酰氯

Database IDs

• CAS Number: 112-16-3
• EC Number: 203-941-7
• MDL Number: MFCD00000740
• Beilstein Number: 1281201
• PubChem SID: 162091022; 24849648
• PubChem CID: 8166

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0116377
• LogD (pH = 7.4): 5.0116377
• Log P: 5.0116377
• Molar Refractivity: 62.5381 cm^3
• Polarizability: 24.755411 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colorless Oil
• Melting Point: -13--10 °C; -17°C
• Boiling Point: 130-132°C/7mm; 134-137 °C/11 mmHg(lit.); 134-137°C
• Flash Point: 140 °C; 140°C(284°F); 284 °F
• Density: 0.92 g/ml; 0.922; 0.922 g/mL at 20 °C; 0.946 g/mL at 25 °C(lit.)
• Refractive Index: 1.4460; n20/D 1.445; n20/D 1.445(lit.)

Safety Information

• Storage Condition: 0°C
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); X
• UN Number: 1760; 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 22-34; 34-37; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• 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-H314-H318; H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-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

Product Information

• Purity: ≥97.5% (GC); 98%; 99%
• Grade: purum
• Linear Formula: CH3(CH2)10COCl

DETAILS

MP Biomedicals - 02155177

(Dodecanoyl chloride) Purity: 99% 1 ml = approx. 0.92 g Sealed ampule.

MP Biomedicals - 05202524

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 156930

Packaging
1 L in glass bottle
50, 250 mL in glass bottle