nonanoyl chloride

• ChemBase ID: 139881
• Molecular Formular: C9H17ClO
• Molecular Mass: 176.68368
• Monoisotopic Mass: 176.09679284
• SMILES: CCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCC(=O)Cl
• InChI: InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
• InChIKey: NTQYXUJLILNTFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonanoyl chloride
• IUPAC Traditional name: nonanoyl chloride
• Synonyms: Pelargonyl chloride; Nonanoyl chloride; 壬酰氯; 正壬酰氯

Database IDs

• CAS Number: 764-85-2
• EC Number: 212-131-2
• MDL Number: MFCD00000768
• Beilstein Number: 1362621
• PubChem SID: 24849639; 24886978; 162234128
• PubChem CID: 69819

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6779318
• LogD (pH = 7.4): 3.6779318
• Log P: 3.6779318
• Molar Refractivity: 48.7351 cm^3
• Polarizability: 19.23504 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -61°C
• Boiling Point: 108-110 °C/22 mmHg(lit.); 215°C
• Flash Point: 203 °F; 95 °C; 95°C(203°F)
• Density: 0.940; 0.940 g/mL at 20 °C; 0.98 g/mL at 25 °C(lit.)
• Refractive Index: 1.4380; n20/D 1.438; n20/D 1.438(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34; 34
• Safety Statements: 20-23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; 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

Product Information

• Purity: ≥97.0% (GC); 96%; 97%
• Grade: purum
• Linear Formula: CH3(CH2)7COCl

DETAILS

Sigma Aldrich - 156833

Other Notes
Remainder 2-Methyloctanoyl chloride
Packaging
25 g in glass bottle