heptadecanoyl chloride

• ChemBase ID: 131840
• Molecular Formular: C17H33ClO
• Molecular Mass: 288.89632
• Monoisotopic Mass: 288.22199336
• SMILES: CCCCCCCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C17H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3
• InChIKey: ICDQUAGMQCUEMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadecanoyl chloride
• IUPAC Traditional name: heptadecanoyl chloride
• Synonyms: Margaroyl chloride; Heptadecanoyl chloride; 十七酰氯; N-十七烷酰氯

Database IDs

• CAS Number: 40480-10-2
• MDL Number: MFCD00000743
• Beilstein Number: 1781006
• PubChem SID: 24858494; 162226117
• PubChem CID: 3516438

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.234481
• LogD (pH = 7.4): 7.234481
• Log P: 7.234481
• Molar Refractivity: 85.5431 cm^3
• Polarizability: 33.969868 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 176 °C/4 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.883 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.453(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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
• Storage Temperature: -20°C

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)15COCl

DETAILS

Sigma Aldrich - H6379

包装
Sealed ampule.

Sigma Aldrich - 306657

Packaging
1 g in glass bottle
100 mg in glass bottle