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CAS No.: | 65731-84-2 |
---|---|
Name: | BETA-CYPERMETHRIN |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C22H19Cl2NO3 |
Molecular Weight: | 416.304 |
Synonyms: | Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methylester, [1R-[1a(S*),3a]]-;NRDC 168S;RU 24501;WL48281; |
EINECS: | 265-898-0 |
Density: | 1.329 g/cm3 |
Melting Point: | 60-80oC |
Boiling Point: | 511.3 °C at 760 mmHg |
Flash Point: | 263 °C |
Solubility: | insoluble in water |
Hazard Symbols: | Xn,N |
Risk Codes: | R22; R37/38; R43; R50/53 |
PSA: | 59.32000 |
LogP: | 6.17798 |
The CAS register number of Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methylester, (1R,3R)- is 65731-84-2. It also can be called as Cyano-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate and the IUPAC name about this chemical is [(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate. The molecular formula about this chemical is C22H19Cl2NO3 and the molecular weight is 416.32.
Physical properties about Cyclopropanecarboxylicacid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methylester, (1R,3R)- are: (1)ACD/LogP: 6.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.27; (4)ACD/LogD (pH 7.4): 6.27; (5)ACD/BCF (pH 5.5): 34501.65; (6)ACD/BCF (pH 7.4): 34501.65; (7)ACD/KOC (pH 5.5): 61626.8; (8)ACD/KOC (pH 7.4): 61626.8; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 59.32Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 110.24 cm3; (14)Molar Volume: 313.1 cm3; (15)Polarizability: 43.7x10-24cm3; (16)Surface Tension: 55.3 dyne/cm; (17)Enthalpy of Vaporization: 78.23 kJ/mol; (18)Boiling Point: 511.3 °C at 760 mmHg; (19)Vapour Pressure: 1.43E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(Cl)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C
(2)InChI: InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
(3)InChIKey: KAATUXNTWXVJKI-NSHGMRRFBM
(4)Std. InChI: InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
(5)Std. InChIKey: KAATUXNTWXVJKI-NSHGMRRFSA-N