Tricyclazole Chemical Properties

Melting point:

187-188°C

Boiling point:

275 °C

Density 

1.2292 (rough estimate)

refractive index 

1.5500 (estimate)

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Very Slightly), Methanol

form 

Solid

pka

2.40±0.40(Predicted)

color 

Light yellow to yellow

biological source

rabbit

Water Solubility 

1.6g/L(25 ºC)

BRN 

980261

InChI

InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3

InChIKey

DQJCHOQLCLEDLL-UHFFFAOYSA-N

SMILES

S1C2=CC=CC(C)=C2N2C=NN=C12

LogP

1.700

CAS DataBase Reference

41814-78-2(CAS DataBase Reference)

NIST Chemistry Reference

Tricyclazole(41814-78-2)

EPA Substance Registry System

Tricyclazole (41814-78-2)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

RIDADR 

2588

WGK Germany 

1

RTECS 

XZ5475000

HazardClass 

6.1(a)

PackingGroup 

II

HS Code 

29349990

MSDS

• Language:English Provider:5-Methyl-1,2,4-triazolo[3,4-b]benzo-1,3-thiazole

Tricyclazole Usage And Synthesis

Description

log Kow: 1.4. Solubility: In water at 25 ?C, 1.6 g/L. In acetone 10.4, methanol 25, xylene 2.1 (all in g/l, 25 ?C). Stability: Stable at 52 ?C. Relatively stable to ultraviolet light.

Chemical Properties

The prodrug is a off-white solid, not easily decomposed by water and light, and is also heat stable (up to 187°C).

Uses

Tricyclazole is an common active ingredient in several commercial fungicide products used to control rice blast fungus, in transplanted and direct-seeded rice.

Definition

ChEBI: 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.

Metabolism

Animals: Rapid and extensive metabolism.
Plants: The principal metabolite is the hydroxymethyl analog.
Soil/Environment: Kd 4 (loamy sand, pH 6.5, 1.5% o.m.), 45 (loam, pH 5.7, 3.1% o.m.), 21 (clay loam, pH 7.4, 1.9% o.m.), 22 (silty clay loam, pH 5.7, 4.1% o.m.).

Toxicity evaluation

Mammalian toxicology. Oral: Acute oral LD₅₀ for rats 314, mice 245, dogs >50 mg/kg. Skin and eye: Acute percutaneous LD₅₀ for rabbits >2000 mg/kg. Slight eye irritant; nonirritating to skin (rabbits). Inhalation: LC50 (1 h) for rats 0.146 mg/L air. NOEL: (2 yr) for rats 9.6 mg/kg b.w.; for mice 6.7 mg/kg b.w.; (1 yr) for dogs 5 mg/kg b.w.; 3-generation reproduction for rat 3 mg/kg b.w. ADI: 0.03 mg/kg.
Toxicity class: World Health Organization (WHO) (a.i.) II; U.S. Environmental Protection Agency (EPA) (formulation) II RC risk Xn (R22). Ecotoxicology. Birds: Acute oral LD₅₀ for mallard ducks and bobwhite quail >100 mg/kg. Fish: LC50 for bluegill sunfish 16.0, rainbow trout 7.3, goldfish fingerlings 13.5 mg/l. Daphnia: LC50 (48 h) > 20 mg/l; NOEC (21 d) 0.96 mg/L.

Tricyclazole(41814-78-2)Related Product Information

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