ChemicalBook--->CAS DataBase List--->41814-78-2

41814-78-2

41814-78-2 Structure

41814-78-2 Structure
IdentificationMore
[Name]

Tricyclazole
[CAS]

41814-78-2
[Synonyms]

5-Methyl-1,2,4-ffiazole(3,4-β)benzothiazole
5-Methyl-1,2,4-triazolo[3,4-b]benzo-1,3-thiazole
5-METHYL-1,2,4-TRIAZOLO-(3,4-B)-BENZOTHIAZOLE
BEAM
BEAM (TM)
BIM
BIM(R)
BLAS-T
Methyl-1,2,4-triazolo(3,4-b)benzothiazole
SAZOLE
TRICYCLAZOL
TRICYCLAZOLE
TRICYLAZOLE
1,2,4-Triazolo[3,4-b]benzothiazole, 5-methyl-
1,2,4-Triazolo[3,4-b]benzothiazole,5-methyl-
2,4-Triazolo[3,4-b]benzothiazole,5-methyl-1
4-b)benzothiazole,5-methyl-s-triazolo(
4-triazolo[3,4-b]benzothiazole,5-methyl-2
5-Methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazole
5-Methyl-1,2,4-triazole(3,4-b)benzothiazole
[EINECS(EC#)]

255-559-5
[Molecular Formula]

C9H7N3S
[MDL Number]

MFCD00072466
[Molecular Weight]

189.24
[MOL File]

41814-78-2.mol
Chemical PropertiesBack Directory
[Melting point ]

187-188°C
[Boiling point ]

275 °C
[density ]

1.2292 (rough estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

0-6°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Very Slightly), Methanol
[form ]

neat
[pka]

2.40±0.40(Predicted)
[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]

41814-78-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[RIDADR ]

2588
[WGK Germany ]

1
[RTECS ]

XZ5475000
[HazardClass ]

6.1(a)
[PackingGroup ]

II
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Chlorine-->Hydrazinium hydroxide solution-->Formic acid-->o-Toluidine-->Ammonium thiocyanate-->Sodium thiocyanate-->Cleaning agent-->Diffusing agent-->alomond gum,cedo gum-->2-Amino-4-methylbenzothiazole-->N-(2-Methylphenyl)thiourea-->4-Methyl-2-benzothiazolehydrazine
[Preparation Products]

Carbendazim+Tricycloazole,W.P.-->Tricyclazole+Iprobenfos,W.P.(20%)-->Sulfur+Tricyclazole,W.P.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Methyl-1,2,4-triazolo[3,4-b]benzo-1,3-thiazole(41814-78-2).msds
Hazard InformationBack Directory
[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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Tricyclazole(41814-78-2)MS
Tricyclazole(41814-78-2)1HNMR
Tricyclazole(41814-78-2)13CNMR
Tricyclazole(41814-78-2)IR1
Tricyclazole(41814-78-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

41814-78-2(sigmaaldrich)
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