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| CAS No.: | 500008-45-7 |
|---|---|
| Name: | CHLOANTRANILIPROLE |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C18H14 Br Cl2 N5 O2 |
| Molecular Weight: | 483.151 |
| Synonyms: | Acelepryn;Altacor; Calteryx; Chlorantraniliprole; Coragen; DKI 0001; DPX-E 2Y45; E 2Y45;Rynaxypyr |
| Density: | 1.66 g/cm3 |
| Melting Point: | approximate 225℃ (dec.) |
| Boiling Point: | 526.6 ºC at 760 mmHg |
| Flash Point: | 272.3 ºC |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37 |
| Safety: | 26 |
| PSA: | 88.91000 |
| LogP: | 4.72080 |
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Chemistry
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IUPAC Name: 5-Bromo-N-[2-chloro-4-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloropyridin-2-yl)pyrazole-3-carboxamide
Molecular Formula: C18H14BrCl2N5O2
Molecular Weight: 483.15 g/mol
Canonical SMILES: c1(n(nc(c1)Br)c1c(cccn1)Cl)C(Nc1c(cc(cc1C(=O)NC)C)Cl)=O
InChI: InChI=1/C18H14BrCl2N5O2/c1-9-6-10(17(27)22-2)15(12(21)7-9)24-18(28)13-8-14(19)25-26(13)16-11(20)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)
XLogP3-AA: 4.8
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 7
Exact Mass: 480.970793
MonoIsotopic Mass: 480.970793
Topological Polar Surface Area: 88.9
Heavy Atom Count: 28
Complexity: 586
Index of Refraction: 1.699
Molar Refractivity: 112.11 cm3
Molar Volume: 290.3 cm3
Polarizability: 44.44×10-24 cm3
Surface Tension: 56.4 dyne/cm
Density: 1.66 g/cm3
Flash Point: 272.3 °C
Enthalpy of Vaporization: 80.1 kJ/mol
Boiling Point: 526.6 °C at 760 mmHg
Vapour Pressure of Chlorantraniliprole (CAS NO.500008-45-7): 3.51E-11 mmHg at 25 °C
Specification
Chlorantraniliprole (CAS NO.500008-45-7), its Synonyms are 3-Bromo-N-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide ; 3-bromo-N-(4-chloro-2-methyl-6-((methylamino)carbonyl)phenyl)-1-(3-chloro-2-pyridinyl)-1H- pyrazole-5-carboxamide ; Rynaxpyr .