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CAS No.: | 116714-46-6 |
---|---|
Name: | Novaluron |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C17H9ClF8N2O4 |
Molecular Weight: | 492.71 |
Synonyms: | Diamond(insecticide);Difluorobenzamide;Oscar Super;Pedestal;Rimon; |
Density: | 1.601 g/cm3 |
Melting Point: | 177.5oC |
Flash Point: | 202℃ |
Appearance: | white |
Hazard Symbols: | N |
Risk Codes: | 50/53 |
Safety: | 60-61 |
PSA: | 76.66000 |
LogP: | 5.84760 |
2,6-difluorobenzoyl isocyanate
3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline
1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
Conditions | Yield |
---|---|
Heating; | 82% |
2-chloro 4-aminophenol
1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 98 percent / KOH / toluene; dimethylsulfoxide / 3 h / 0 °C 2: 82 percent / Heating View Scheme |
2,6-difluorobenzoyl isocyanate
3-chloro-4-[ 1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy] aniline
A
1-benzoylurea
B
1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
Conditions | Yield |
---|---|
In chlorobenzene |
chloromethyl methyl ether
1-[3-chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
Conditions | Yield |
---|---|
With sodium hydride In 1-methyl-pyrrolidin-2-one at 0 - 2℃; for 4h; |
Molecule structure of Novaluron (CAS NO.116714-46-6):
IUPAC Name: N-[[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
Molecular Weight: 492.704586 g/mol
Molecular Formula: C17H9ClF8N2O4
Density: 1.601 g/cm3
Index of Refraction: 1.513
Molar Refractivity: 92.53 cm3
Molar Volume: 307.6 cm3
Polarizability: 36.68×10-24 cm3
Surface Tension: 39.3 dyne/cm
Melting Point: 177.5 deg C
Water Solubility: 0.0531 mg/L
Storage Temp.: 0-6 °C
XLogP3: 5.8
H-Bond Donor: 2
H-Bond Acceptor: 12
Rotatable Bond Count: 6
Tautomer Count: 5
Exact Mass: 492.01231
MonoIsotopic Mass: 492.01231
Topological Polar Surface Area: 76.7
Heavy Atom Count: 32
Complexity: 661
Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
InChI: InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
InChIKey: NJPPVKZQTLUDBO-UHFFFAOYSA-N
Classification Code of Novaluron (CAS NO.116714-46-6): Insect growth regulator; Insecticide
Hazardous Substances Data: 116714-46-6(Hazardous Substances Data)
Novaluron (CAS NO.116714-46-6) is also named as HSDB 7004 ; Rimon ; Benzamide, N-(((3-chloro-4-(1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy)phenyl)amino)carbonyl)-2,6-difluoro- ; Benzamide, N-3-chloro-4-(1,1,2-trifluoro)-2-(trifluoromethoxy)ethoxyphenyl-amino-carbonyl-2,6-difluoro- .