Pyridalyl supplier | CasNO.179101-81-6

Name
PYRIDALYL
EINECS
CAS No. 179101-81-6
Article Data2
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₄Cl₄F₃NO₃
Boiling Point 545.411 °C at 760 mmHg
Molecular Weight 491.121
Flash Point 283.654 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyridine,2-[3-[2,6-dichloro-4-[(3,3-dichloro-2-propenyl)oxy]phenoxy]propoxy]-5-(trifluoromethyl)-(9CI);Overture;Pyridalyl;S 1812;Tesoro;
PSA 40.58000
LogP 6.95290

Pyridalyl Specification

The Pyridalyl is an organic compound with the formula C₁₈H₁₄Cl₄F₃NO₃. The IUPAC name of this chemical is 2-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propoxy]-6-(trifluoromethyl)pyridine. With the CAS registry number 179101-81-6, it is also named as pyridine, 2-[3-[2,6-dichloro-4-[(3,3-dichloro-2-propen-1-yl)oxy]phenoxy]propoxy]-5-(trifluoromethyl)-. Besides, it should be stored at temperature of 0 - 6 °C.

Physical properties about Pyridalyl are: (1)ACD/LogP: 7.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1113990; (8)ACD/KOC (pH 7.4): 1114090; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 40.58 Å²; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 106.851 cm³; (14)Molar Volume: 338.679 cm³; (15)Polarizability: 42.359×10^-24cm³; (16)Surface Tension: 40.641 dyne/cm; (17)Density: 1.45 g/cm³; (18)Flash Point: 283.654 °C; (19)Enthalpy of Vaporization: 79.341 kJ/mol; (20)Boiling Point: 545.411 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(Cl)=C\COc2cc(Cl)c(OCCCOc1ncc(cc1)C(F)(F)F)c(Cl)c2
(2)InChI: InChI=1/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2
(3)InChIKey: AEHJMNVBLRLZKK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C18H14Cl4F3NO3/c19-13-8-12(27-7-4-15(21)22)9-14(20)17(13)29-6-1-5-28-16-3-2-11(10-26-16)18(23,24)25/h2-4,8-10H,1,5-7H2
(5)Std. InChIKey: AEHJMNVBLRLZKK-UHFFFAOYSA-N

Product Name

PYRIDALYL

Pyridalyl Specification

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