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  • Triticonazole
Name:Triticonazole
CAS No:131983-72-7

PRODUCT DESCRIPTION

【Name】
Cyclopentanol,5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-
【CAS Registry number】
131983-72-7
【Synonyms】
Alios
Charter
Premis
Premis T
Premise
Premise (fungicide)
Triticonazole
【Molecular Formula】
C17H20 Cl N3 O (Products with the same molecular formula)
【Molecular Weight】
317.82
【Inchi】
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
【Canonical SMILES】
CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C
【Isomers smiles】
CC1(CC/C(=CC2=CC=C(C=C2)Cl)/C1(CN3C=NC=N3)O)C
【MOL File】
131983-72-7.mol

Chemical and Physical Properties

【Density】
1.23g/cm3
【Boiling Point】
498.7°Cat760mmHg
【Vapour】
9.14E-11mmHg at 25°C
【Refractive Index】
1.614
【Flash Point】
255.4°C
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:317.8132 [g/mol]
Molecular Formula:C17H20ClN3O
XLogP3-AA:3.1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:3
Exact Mass:317.12949
MonoIsotopic Mass:317.12949
Topological Polar Surface Area:50.9
Heavy Atom Count:22
Formal Charge:0
Complexity:432
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3.8
Conformer Sampling RMSD:0.6
CID Conformer Count:18

Safety and Handling

【Hazard Codes】
N: Dangerous for the environment;
【Risk Statements】
R51/53
【Safety Statements 】
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and Cl−.
【Safety】

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and Cl.Safety information of Triticonazole (CAS NO.131983-72-7):
Hazard Codes  DangerousN
Risk Statements  
51/53 Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment 
Safety Statements  
61 Avoid release to the environment. Refer to special instructions safety data sheet 
RIDADR  UN3077 9/PG 3 
RTECS  GY4705000

【Transport】
UN 3077

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