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Formetanate

Formetanate structure

CAS No:
22259-30-9
Formula:
C11H15N3O2
Chemical Name:
Formetanate
Synonyms:
Methanimidamide,N,N-dimethyl-N′-[3-[[(methylamino)carbonyl]oxy]phenyl]-;Carbamic acid,methyl-,ester with N′-(m-hydroxyphenyl)-N,N-dimethylformamidine;Carbamic acid,methyl-,m-[[(dimethylamino)methylene]amino]phenyl ester;Formamidine,N′-(m-hydroxyphenyl)-N,N-dimethyl-,methylcarbamate (ester);Phenol,m-[[(dimethylamino)methylene]amino]-,methylcarbamate (ester);N,N-Dimethyl-N′-[3-[[(methylamino)carbonyl]oxy]phenyl]methanimidamide;Formetanate;3-[(Dimethylamino)methylenimino]phenyl N-methylcarbamate;m-[[(Dimethylamino)methylene]amino]phenyl methylcarbamate;Formetanat;Dicarzol;Dicarzol 200;[3-(Dimethylaminomethylideneamino)phenyl] N-methylcarbamate
Categories:
Chemical Reagents > Organic Reagents

Description

Water soluble.

Formetanate is a carbamate ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide, an acaricide and an agrochemical. It derives from a methylcarbamic acid and a N'-(3-hydroxyphenyl)-N,N-dimethylformamidine.

Formetanate Basic Attributes

Molecular Weight：

221.258

Exact Mass：

221.26

EC Number：

244-879-0

UNII：

532HEC1KKM

DSSTox ID：

DTXSID9041990

HScode：

2925290012

Characteristics

PSA：

53.9

XLogP3：

1.83060

Density：

1.09g/cm3

Melting Point：

102.5°C

Boiling Point：

362.32°C (rough estimate)

Refractive Index：

1.529

Water Solubility：

Water solubility = >500,000 mg/l

Vapor Pressure：

4.1 x 10 -5 Pa (20 °C)

Toxicity：

Oral-rat LD50: 20 mg/kg; Oral-Mouse LD50: 18 mg/kg

Flammability characteristics：

Thermal decomposition of toxic nitrogen oxide gas

Collision Cross Section：

153.76 Å² [M+H]+ [CCS Type: TW]

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

2757

hazard class code：

26/28-43-50/53

safety instructions：

24-28-37/39-45-60-61

Marks：

T+,N

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Stability/Shelf Life：

Stable under normal storage conditions.

Precautionary statement(s)：

P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P320, P321, P330, P333+P313, P363, P391, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300: Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P320, P321, P330, P333+P313, P363, P391, P403+P233, P405, and P501

Toxicity

Toxicity class：

most toxic

Drug Information

MeSH Entry Terms：

formetanate

Formetanate Use and Manufacturing

Uses

Acaricide for deciduous fruits.

Manufacturing Info：

Methanimidamide, N,N-dimethyl-N'-[3-[[(methylamino)carbonyl]oxy]phenyl]-, hydrochloride (1:1): ACTIVE

Use Classification：

Agrochemicals -> Acaricides, Insecticides

Computed Properties

Molecular Weight:221.26
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:221.116426730
Monoisotopic Mass:221.116426730
Topological Polar Surface Area:53.9
Heavy Atom Count:16
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes