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CAS No.: | 121552-61-2 |
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Name: | Cyprodinil |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C14H15N3 |
Molecular Weight: | 225.293 |
Synonyms: | CGA 219417;Chorus;Chorus (pesticide);Chorus 75WG;4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine;2-Pyrimidinamine,4-cyclopropyl-6-methyl-N-phenyl-; |
Density: | 1.21 g/cm3 |
Melting Point: | 75.9 °C |
Boiling Point: | 405.985 °C at 760 mmHg |
Flash Point: | 199.333 °C |
Solubility: | insoluble in water |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/38-43 |
Safety: | 26-36 |
Transport Information: | UN 3077 |
PSA: | 37.81000 |
LogP: | 3.47900 |
1.Introduction of Cyprodinil
The Cyprodinil, with the CAS registry number 121552-61-2, is also known as 2-Pyrimidinamine,4-cyclopropyl-6-methyl-N-phenyl-. This chemical's molecular formula is C14H15N3 and molecular weight is 225.29. What's more, its systematic name is 4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine. Its classification code is Fungicide. This chemical is stable at common pressure and temperature, and its storage temperature is 2 - 8 °C. It is used as agricultural microbicides.
2.Physical properties of Cyprodinil
(1)ACD/LogP: 3.012; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.00; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 111.29; (6)ACD/BCF (pH 7.4): 114.64; (7)ACD/KOC (pH 5.5): 1006.40; (8)ACD/KOC (pH 7.4): 1036.65; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.81 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 68.661 cm3; (15)Molar Volume: 186.187 cm3; (16)Polarizability: 27.219×10-24cm3; (17)Surface Tension: 57.5419998168945 dyne/cm ; (18)Density: 1.21 g/cm3; (19)Flash Point: 199.333 °C; (20)Enthalpy of Vaporization: 65.765 kJ/mol; (21)Boiling Point: 405.985 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
3.Structure descriptors of Cyprodinil
(1)SMILES: n1c(cc(nc1Nc2ccccc2)C3CC3)C
(2)Std. InChI: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
(3)Std. InChIKey: HAORKNGNJCEJBX-UHFFFAOYSA-N
4.Uses of Cyprodinil
Cyprodinil can be used to produce 4-(4-cyclopropyl-6-methyl-pyrimidin-2-ylamino)-phenol and 4-cyclopropyl-2-(4-hydroxy-phenylamino)-6-methyl-pyrimidin-5-ole. It will need reagent Absidia pseudocylindraspora and solvent ethanol. The yield is about 35.6%.
5.Safety information of Cyprodinil
This chemical is irritating to eyes and skin. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.