1-chlorodecane

• ChemBase ID: 92312
• Molecular Formular: C10H21Cl
• Molecular Mass: 176.72674
• Monoisotopic Mass: 176.13317835
• SMILES: ClCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCl
• InChI: InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
• InChIKey: ZTEHOZMYMCEYRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chlorodecane
• IUPAC Traditional name: 1-chlorodecane
• Synonyms: Decyl chloride; 1-Chlorodecane; N-DECYL CHLORIDE; 1-Chlorodecane; 1-Chlorodecane; Decyl chloride; 癸基氯; 1-氯癸烷

Database IDs

• CAS Number: 1002-69-3
• EC Number: 213-691-0
• MDL Number: MFCD00000956
• Beilstein Number: 1735224
• PubChem SID: 162079010; 24854530; 24892600
• PubChem CID: 13848

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.827326
• LogD (pH = 7.4): 4.827326
• Log P: 4.827326
• Molar Refractivity: 52.7919 cm^3
• Polarizability: 20.966667 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -34 °C(lit.); -34°C
• Boiling Point: 223 °C(lit.); 223°C
• Flash Point: 181.4 °F; 83 °C; 83°C
• Density: 0.868; 0.868 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.437; n20/D 1.437(lit.)

Safety Information

• Storage Warning: Carcinogenic/Irritant
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 40-50/53-66
• Safety Statements: 24-36/37-46-60-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H351-H410
• GHS Precautionary statements: P273-P281-P501
• RID/ADR: UN 3082 9/PG 3
• Supplemental Hazard Statements: Repeated exposure may cause skin dryness or cracking.

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%
• Grade: purum
• Linear Formula: CH3(CH2)9Cl

DETAILS

MP Biomedicals - 05221709

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C32909

Packaging
100, 500 g in glass bottle