CAS No.113096-99-4,Cyproconazol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	113096-99-4
Name:	Cyproconazol
Article Data:	13

Formula:	C₁₅H₁₈ClN₃O
Molecular Weight:	291.78
Synonyms:	1H-1,2,4-Triazole-1-ethanol, alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-;(2rs,3rs;2rs,3sr)-2-(4-chloro-phenyl)-3-cyclopropyl-1-(1h-1,2,4-triazol-1-yl;alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)-1h-1,2,4-triazole-1-ethano;Cyproconazol;ALTO;
Density:	1.32 g/cm³
Melting Point:	106.2-106.9oC
Boiling Point:	479.1 °C at 760 mmHg
Flash Point:	243.6 °C
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36
PSA:	50.94000
LogP:	2.86540

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Specification

The CAS register number of Cyproconazol is 113096-99-4. It also can be called as 1H-1,2,4-Triazole-1-ethanol, alpha-(4-chlorophenyl)-alpha-(1-cyclopropylethyl)- and the IUPAC name about this chemical is 2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol. The molecular formula about this chemical is C₁₅H₁₈ClN₃O and the molecular weight is 291.78. Classification code about this chemical are Agricultural Chemical, Fungicide, bactericide, wood preservative and Reproductive Effect. This chemical is harmful if swallowed. When you are using it, wear suitable protective clothing.

Physical properties about Cyproconazol are: (1)ACD/LogP: 2.70; (2)ACD/LogD (pH 5.5): 2.7; (3)ACD/LogD (pH 7.4): 2.7; (4)ACD/BCF (pH 5.5): 66.01; (5)ACD/BCF (pH 7.4): 66.43; (6)ACD/KOC (pH 5.5): 697.07; (7)ACD/KOC (pH 7.4): 701.55; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 39.94Å²; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 79.89 cm³; (14)Molar Volume: 219.8 cm³; (15)Polarizability: 31.67x10^-24cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Enthalpy of Vaporization: 78.31 kJ/mol; (18)Boiling Point: 479.1 °C at 760 mmHg; (19)Vapour Pressure: 5.46E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(O)(C(C)C2CC2)Cn3ncnc3
(2)InChI: InChI=1/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
(3)InChIKey: UFNOUKDBUJZYDE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
(5)Std. InChIKey: UFNOUKDBUJZYDE-UHFFFAOYSA-N