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41814-78-2

41814-78-2 structural image
Product Name: Tricyclazole
Formula: C9H7N3S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 275.00 °C. @ 760.00 mm Hg
Melting Point 187 - 188 °C
Solubility 1.6 mg/mL at 25 °C
LogP 1.70
Kovats Retention Index 2185 2148.1 2162.1 2153.2

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 189.24 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 189.03606841 g/mol
Monoisotopic Mass 189.03606841 g/mol
Topological Polar Surface Area 58.4 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 211
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tricyclazole is a triazolobenzothiazole that is [1,2,4]triazolo[3,4-b][1,3]benzothiazole which is substituted at position 5 by a methyl group. A fungicide used for the control of rice blast, it is not approved for use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a conjugate base of a 5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium.

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