nonadecanoyl chloride

• ChemBase ID: 152616
• Molecular Formular: C19H37ClO
• Molecular Mass: 316.94948
• Monoisotopic Mass: 316.25329348
• SMILES: CCCCCCCCCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C19H37ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3
• InChIKey: BASNZTUXPUAQLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecanoyl chloride
• IUPAC Traditional name: nonadecanoyl chloride
• Synonyms: Nonadecanoyl chloride; 十九酰氯

Database IDs

• CAS Number: 59410-47-8
• MDL Number: MFCD00045229
• Beilstein Number: 1786242
• PubChem SID: 162246761; 24886657
• PubChem CID: 4250939

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.123618
• LogD (pH = 7.4): 8.123618
• Log P: 8.123618
• Molar Refractivity: 94.7451 cm^3
• Polarizability: 37.65829 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3265 8/PG 3

Product Information

• Purity: ≥99.0% (GC)
• Linear Formula: CH3(CH2)17COCl

DETAILS

Sigma Aldrich - 74200

Caution
melts at room temperature
Packaging
1 g in glass bottle