1-chlorooctadecane

• ChemBase ID: 110245
• Molecular Formular: C18H37Cl
• Molecular Mass: 288.93938
• Monoisotopic Mass: 288.25837886
• SMILES: CCCCCCCCCCCCCCCCCCCl
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCl
• InChI: InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
• InChIKey: VUQPJRPDRDVQMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chlorooctadecane
• IUPAC Traditional name: 1-chlorooctadecane
• Synonyms: 1-Chlorooctadecane; Octadecyl chloride; Stearyl chloride; 1-Chlorooctadecane; n-OCTADECYL CHLORIDE; n-Octadecyl chloride; 十八烷基氯; 硬脂基氯; 氯代十八烷; 1-氯十八烷

Database IDs

• CAS Number: 3386-33-2
• EC Number: 222-207-7
• MDL Number: MFCD00000960
• Beilstein Number: 1703350
• PubChem SID: 24854298; 24855532; 24867762; 162096378
• PubChem CID: 18815

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.383875
• LogD (pH = 7.4): 8.383875
• Log P: 8.383875
• Molar Refractivity: 89.5999 cm^3
• Polarizability: 35.73052 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 20-23°C; 20-24 °C
• Boiling Point: 157-158 °C/1.5 mmHg(lit.); 157-158°C/1.5mm
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 0.849; 0.849 g/mL at 25 °C(lit.)
• Refractive Index: 1.4510; n20/D 1.451(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC); 94%; 95+%; 96%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Linear Formula: CH3(CH2)16CH2Cl

DETAILS

MP Biomedicals - 05214229

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 238368

Packaging
25 g in glass bottle