undecanoyl chloride

• ChemBase ID: 133391
• Molecular Formular: C11H21ClO
• Molecular Mass: 204.73684
• Monoisotopic Mass: 204.12809297
• SMILES: CCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3
• InChIKey: JUKPJGZUFHCZQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecanoyl chloride
• IUPAC Traditional name: undecanoyl chloride
• Synonyms: Undecanoyl chloride; 十一烷酰氯

Database IDs

• CAS Number: 17746-05-3
• EC Number: 241-741-1
• MDL Number: MFCD00000739
• Beilstein Number: 1759226
• PubChem SID: 162227668; 24854992
• PubChem CID: 87287

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.567069
• LogD (pH = 7.4): 4.567069
• Log P: 4.567069
• Molar Refractivity: 57.9371 cm^3
• Polarizability: 22.914299 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 135-136 °C/20 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.927 g/mL at 20 °C; 0.93 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.443(lit.); n20/D 1.444

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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
• Storage Temperature: -20°C

Product Information

• Purity: ≥99.0% (GC); 99%
• Grade: puriss.
• Linear Formula: CH3(CH2)9COCl

DETAILS

Sigma Aldrich - U4626

包装
Sealed ampule.

Sigma Aldrich - 249432

Packaging
500 mg in glass bottle