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Triazoxide

Triazoxide structure

CAS No:
72459-58-6
Formula:
C10H6ClN5O
Chemical Name:
Triazoxide
Synonyms:
1,2,4-Benzotriazine,7-chloro-3-(1H-imidazol-1-yl)-,1-oxide;Triazoxide
Categories:
Agrochemicals > Fungicides

Description

ChEBI: A member of the class of benzotriazines that is 1,2,4-benzotriazine 1-oxide which is substituted by chlorine at position 7 and by a 1H-imidazol-1-yl group at position 3. A fungicide, it is used as a seed treatment for control of seed-bor e Pyrenophora graminea and Pyrenophora teres in barley.

Triazoxide is a member of the class of benzotriazines that is 1,2,4-benzotriazine 1-oxide which is substituted by chlorine at position 7 and by a 1H-imidazol-1-yl group at position 3. A fungicide, it is used as a seed treatment for control of seed-borne Pyrenophora graminea and Pyrenophora teres in barley. It has a role as an antifungal agrochemical. It is a member of benzotriazines, a N-oxide, an organochlorine compound, a member of imidazoles and an imidazole fungicide.

Triazoxide Basic Attributes

Molecular Weight：

247.64

Exact Mass：

247.64

EC Number：

276-668-4

UNII：

1C2N58DT4P

DSSTox ID：

DTXSID3058169

HScode：

2933399054

Characteristics

PSA：

69.1

XLogP3：

1.89740

Density：

1.64g/cm3

Melting Point：

182 °C

Boiling Point：

533.4ºC at 760 mmHg

Flash Point：

>100 °C

Refractive Index：

1.786

Water Solubility：

34 mg l -1 (20 °C)

Vapor Pressure：

1 x 10 -7 Pa (20 °C)

Toxicity：

LD50 in rats (mg/kg): >5000 dermally; 100-200 orally; LC50 (4hr) in rats (mg/l): 0.8-3.2 by inhalation (Dutzmann)

Safety Information

Transport codes：

UN28116.1/PG1

wgk germany：

hazard class code：

23/25

safety instructions：

Marks：

Precautionary statement(s)：

P261-P301 + P310-P311

Hazard Statements：

H301-H331

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P301+P310, P304+P340, P311, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 128 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Triazoxide Use and Manufacturing

Uses

Fungicide.

Use Classification：

Agrochemicals -> Fungicides|Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Triazoxide has known environmental transformation products that include Triazoxide amino and Triazoxide desoxy.

Computed Properties

Molecular Weight:247.64
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:247.0260875
Monoisotopic Mass:247.0260875
Topological Polar Surface Area:69.1
Heavy Atom Count:17
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes