decyl chloroformate

• ChemBase ID: 148579
• Molecular Formular: C11H21ClO2
• Molecular Mass: 220.73624
• Monoisotopic Mass: 220.12300759
• SMILES: CCCCCCCCCCOC(=O)Cl
• Canonical SMILES: CCCCCCCCCCOC(=O)Cl
• InChI: InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3
• InChIKey: AZZCHVHSWUYCQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decyl chloroformate
• IUPAC Traditional name: n-decyl chloroformate
• Synonyms: Decyl chloroformate; 氯甲酸(N-癸基)酯

Database IDs

• CAS Number: 55488-51-2
• EC Number: 259-668-9
• MDL Number: MFCD00126853
• PubChem SID: 162242754; 24874683
• PubChem CID: 108727

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.920586
• LogD (pH = 7.4): 4.920586
• Log P: 4.920586
• Molar Refractivity: 59.6054 cm^3
• Polarizability: 23.633226 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 226-227 °C(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.956 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.438(lit.)

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: 26-27-36/37/39
• 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: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: ClCO2(CH2)9CH3

DETAILS

Sigma Aldrich - 549339

Packaging
5 g in glass bottle