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CAS No.: | 83322-02-5 |
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Name: | Bifenthrin |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C23H22ClF3O2 |
Molecular Weight: | 422.875 |
Synonyms: | Bifenthrin 20%SL;(2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate;(2-Methyl-3-biphenylyl)methyl-3-[(1Z)-2-chlor-3,3,3-trifluor-1-propen-1-yl]-2,2-dimethylcyclopropancarboxylat;[1a,3a(Z)]-(±)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic Acid (2-Methyl[1,1'-biphenyl]-3-yl)methyl Ester;2-Methylbiphenyl-3-ylmethyl-(Z)(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate;3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propèn-1-yl]-2,2-diméthylcyclopropanecarboxylate de (2-méthyl-3-biphénylyl)méthyle;cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (2-methyl[1,1'-biphenyl]-3-yl)methyl ester;cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2-methyl[1,1'-biphenyl]-3-yl)methyl ester; |
Density: | 1.262 g/cm3 |
Boiling Point: | 453.2 °C at 760 mmHg |
Flash Point: | 136.5 °C |
PSA: | 26.30000 |
LogP: | 6.41380 |
The Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-,(2-methyl[1,1'-biphenyl]-3-yl)methyl ester, trans- (9CI), with the CAS registry number 83322-02-5, has the systematic name of (2-methylbiphenyl-3-yl)methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate. And the molecular formula of the chemical is C23H22ClF3O2.
The characteristics of Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-,(2-methyl[1,1'-biphenyl]-3-yl)methyl ester, trans- (9CI) are as followings: (1)ACD/LogP: 7.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.3; (4)ACD/LogD (pH 7.4): 7.3; (5)ACD/BCF (pH 5.5): 209533.19; (6)ACD/BCF (pH 7.4): 209533.19; (7)ACD/KOC (pH 5.5): 224144.58; (8)ACD/KOC (pH 7.4): 224144.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 108.9 cm3; (15)Molar Volume: 334.9 cm3; (16)Polarizability: 43.17×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.262 g/cm3; (19)Flash Point: 136.5 °C; (20)Enthalpy of Vaporization: 71.25 kJ/mol; (21)Boiling Point: 453.2 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl\C(=C/C3C(C(=O)OCc2cccc(c1ccccc1)c2C)C3(C)C)C(F)(F)F
(2)InChI: InChI=1/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-
(3)InChIKey: OMFRMAHOUUJSGP-UNOMPAQXBK