1-chlorononane

• ChemBase ID: 146454
• Molecular Formular: C9H19Cl
• Molecular Mass: 162.70016
• Monoisotopic Mass: 162.11752829
• SMILES: CCCCCCCCCCl
• Canonical SMILES: CCCCCCCCCCl
• InChI: InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
• InChIKey: RKAMCQVGHFRILV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chlorononane
• IUPAC Traditional name: 1-chlorononane
• Synonyms: Nonyl chloride; 1-Chlorononane; n-Nonyl chloride; 壬基氯; 1-氯壬烷

Database IDs

• CAS Number: 2473-01-0
• EC Number: 219-595-5
• MDL Number: MFCD00001023
• Beilstein Number: 1733625
• PubChem SID: 162240650; 24854305
• PubChem CID: 17185

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.382757
• LogD (pH = 7.4): 4.382757
• Log P: 4.382757
• Molar Refractivity: 48.1909 cm^3
• Polarizability: 19.122435 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 201-202°C; 202-204 °C(lit.)
• Flash Point: 165.2 °F; 74 °C; 74°C(165°F)
• Density: 0.87 g/mL at 25 °C(lit.); 0.870
• Refractive Index: 1.4335; n20/D 1.436; n20/D 1.436(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H315-H319-H335
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; 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: 98%
• Linear Formula: CH3(CH2)8Cl

DETAILS

Sigma Aldrich - 238457

Packaging
10 g in glass bottle