1-chlorotetradecane

• ChemBase ID: 146498
• Molecular Formular: C14H29Cl
• Molecular Mass: 232.83306
• Monoisotopic Mass: 232.19577861
• SMILES: CCCCCCCCCCCCCCCl
• Canonical SMILES: CCCCCCCCCCCCCCCl
• InChI: InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
• InChIKey: RNHWYOLIEJIAMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chlorotetradecane
• IUPAC Traditional name: 1-chlorotetradecane
• Synonyms: 1-Chlorotetradecane; Myristyl chloride; Tetradecyl chloride; 1-Chlorotetradecane; 十四烷基氯; 肉豆蔻基氯; 1-氯十四烷

Database IDs

• CAS Number: 2425-54-9
• EC Number: 219-368-0
• MDL Number: MFCD00000958
• Beilstein Number: 1742639
• PubChem SID: 24855192; 162240693
• PubChem CID: 17043

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6056004
• LogD (pH = 7.4): 6.6056004
• Log P: 6.6056004
• Molar Refractivity: 71.1959 cm^3
• Polarizability: 28.347055 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 139-142 °C/4 mmHg(lit.)
• Flash Point: 109 °C; 228.2 °F
• Density: 0.859 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.446(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 98%
• Linear Formula: CH3(CH2)13Cl

DETAILS

Sigma Aldrich - 252239

Packaging
5, 100, 500 g in glass bottle