CAS No.27236-80-2,10-UNDECENOYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27236-80-2
Name:	10-UNDECENOYL CHLORIDE

Formula:	C₁₁H₁₉ClO
Molecular Weight:	202.72
Synonyms:	Undecylenic fatty acyl chloride;
EINECS:	248-356-8
Density:	0.955 g/cm³
Boiling Point:	265.1 °C at 760 mmHg
Flash Point:	116.8 °C
Hazard Symbols:	C
Risk Codes:	34-37
Safety:	26-36/37/39-45
PSA:	17.07000
LogP:	4.05860

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Specification

The Undecenoyl chloride, with the CAS registry number 27236-80-2, is also known as Undecylenic fatty acyl chloride. Its EINECS number is 248-356-8. This chemical's molecular formula is C₁₁H₁₉ClO and molecular weight is 202.72. What's more, its IUPAC name is (E)-undec-2-enoyl chloride.

Physical properties of Undecenoyl chloride are: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/BCF (pH 5.5): 6267.25; (5)ACD/KOC (pH 5.5): 18177.73; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.458; (11)Molar Refractivity: 57.94 cm³; (12)Molar Volume: 212.2 cm³; (13)Surface Tension: 30.9 dyne/cm; (14)Density: 0.955 g/cm³; (15)Flash Point: 116.8 °C; (16)Enthalpy of Vaporization: 50.3 kJ/mol; (17)Boiling Point: 265.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00935 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC=CC(=O)Cl
(2)Isomeric SMILES: CCCCCCCC/C=C/C(=O)Cl
(3)InChI: InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3/b10-9+
(4)InChIKey: RCFUFEMQNKVAGF-MDZDMXLPSA-N