undec-10-enoyl chloride

• ChemBase ID: 147737
• Molecular Formular: C11H19ClO
• Molecular Mass: 202.72096
• Monoisotopic Mass: 202.11244291
• SMILES: C=CCCCCCCCCC(=O)Cl
• Canonical SMILES: C=CCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2
• InChIKey: MZFGYVZYLMNXGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-10-enoyl chloride
• IUPAC Traditional name: 10-undecenoyl chloride
• Synonyms: 10-Undecenoyl chloride; 10-十一酰氯

Database IDs

• CAS Number: 38460-95-6
• EC Number: 253-951-0
• MDL Number: MFCD00000772
• Beilstein Number: 1635112
• PubChem SID: 162241921; 24889775; 24849945
• PubChem CID: 38042

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.263081
• LogD (pH = 7.4): 4.263081
• Log P: 4.263081
• Molar Refractivity: 57.9812 cm^3
• Polarizability: 22.672455 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-122 °C/10 mmHg(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 0.944 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.454; n20/D 1.454(lit.)

Safety Information

• RTECS: YQ2991000
• 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

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: technical
• Linear Formula: CH2=CH(CH2)8COCl

DETAILS

Sigma Aldrich - 161667

Packaging
25, 100 g in glass bottle