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Triazamate

Triazamate structure

CAS No:
112143-82-5
Formula:
C13H22N4O3S
Chemical Name:
Triazamate
Synonyms:
Acetic acid,2-[[1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]thio]-,ethyl ester;Acetic acid,[[1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]thio]-,ethyl ester;RH 7988;Triazamate;Triazuron;Aphistar;110895-43-7
Categories:
Agrochemicals > Insecticides

Description

ChEBI: A triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, resp ctively.

Triazamate is a triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a triazole insecticide, an aryl sulfide and an ethyl ester. It derives from a hydride of a 1H-1,2,4-triazole.

Triazamate Basic Attributes

Molecular Weight：

314.4

Exact Mass：

314.40

EC Number：

601-165-7

UNII：

B4914SW93T

DSSTox ID：

DTXSID5034307

Characteristics

PSA：

103

XLogP3：

1.76050

Density：

1.2357 (rough estimate)

Melting Point：

53 °C

Boiling Point：

>280 °C

Flash Point：

189℃

Refractive Index：

1.6200 (estimate)

Water Solubility：

0.00 M

Vapor Pressure：

1.6 x l0 -4 Pa (25 °C)

Toxicity：

LD50 (14 d) in mice, rats (mg/kg): 61, 50-200 orally; in rats (mg/kg): >5000 dermally (Murray); LC50 (48 h) in daphnia: 0.048 mg/l; (96 h) in bluegill, trout: 1.0, 0.43 mg/l (Murray)

Safety Information

Transport codes：

UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all

wgk germany：

hazard class code：

23-25-36-50

safety instructions：

26-45-61

Marks：

T,N

Precautionary statement(s)：

P260-P273-P284-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301-H319-H330-H400

GHS Classification：

|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P301+P310, P304+P340, P311, P321, P330, P391, P403+P233, P405, and P501|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P273, P280, P284, P301+P310, P304+P340, P305+P351+P338, P310, P320, P321, P330, P337+P313, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 127 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

triazamate

Triazamate Use and Manufacturing

Uses

Pesticide.

Use Classification：

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

Agrochemical：

Triazamat has known environmental transformation products that include MII (CL 900056).

Computed Properties

Molecular Weight:314.41
XLogP3:2.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:314.14126175
Monoisotopic Mass:314.14126175
Topological Polar Surface Area:103
Heavy Atom Count:21
Complexity:384
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes