O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate

Basic Information

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CAS Number

23505-41-1

Molecular Formula

C13H24N3O3PS

Molecular Weight

333.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

414.1 °C at 760 mmHg

Flash Point

204.2 °C

Refractive Index

nD25 1.520

SMILES

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CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C

InChI

InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3

InChIKey

TZBPRYIIJAJUOY-UHFFFAOYSA-N

LogP

3.307520000000002

Topological Polar Surface Area

56.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

335

Safety Information

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GHS Hazard Pictograms

H301

H312

H410

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in rats, mice, guinea pigs (mg/kg); 140-200, 105, 50-150 orally; dermally in rats: 1000-2000 mg/kg (Bullock)

Synonyms & References

English

O-(2-(Diethylamino)-6-methyl-4-pyrimidinyl)O,O-diethyl phosphorothioate
Phosphorothioic acid, O,O-diethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) ester
AKOS015892466
O,O-Diethyl O-(2-diethylamino-6-methyl-4-pyrimidinyl)phosphorothioate
Pirimiphos-ethyl 100 microg/mL in Cyclohexane
Tox21_301447
Ethyl pirimiphos
PP211
Pirimifosethyl
Q22808666
NCGC00166194-01
YAA50541
NS00002602
O-(2-(Diethylamino)-6-methyl-4-pyrimidinyl)phosphorothioic acid O,O-diethyl ester
EINECS 245-704-0
O,O-Diethyl O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) phosphorothioate
NCGC00255873-01
UNII-3L26N84757
Solgard
R 42211
AI3-27698
C19012
Phosphorothioic acid, O-(2-(diethylamino)-6-methyl-4-pyrimidinyl) O,O-diethyl ester
Pirimiphos-ethyl, PESTANAL(R), analytical standard
4-diethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine
CHEBI:82146
O-(2-(Diethylamino)-6-methyl-4-pyrimidinyl) O,O-diethyl phosphorothioate
Pyrimiphos-ethyl (ISO-French)
Pirimiphos-ethyl 10 microg/mL in Cyclohexane
3L26N84757
PIRIMIFOS-ETHYL

MDL Number

MFCD00055295

Customs Code

2933599011

FAQ

What are the physical and chemical properties of O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate (CAS: 23505-41-1)?

O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate is a crystalline compound with a molecular weight of approximately 418.5 g/mol. It has a low water solubility but is soluble in organic solvents like acetonitrile. It is moderately reactive, showing some hydrolytic stability but being susceptible to nucleophilic substitution reactions. It has a melting point of around 150-152°C and is stable under normal laboratory conditions.

How is O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate (CAS: 23505-41-1) typically synthesized?

O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate is synthesized via a multi-step procedure that involves the condensation of 2-(diethylamino)-6-methyl-4-pyrimidinyl chloride with diethyl phosphite in the presence of a base like triethylamine. The reaction is typically carried out in anhydrous organic solvents at room temperature. The yield is around 85%, and the product is purified using column chromatography.

What industries use O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate (CAS: 23505-41-1)?

O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate is used in the pharmaceutical industry for its potential as an antifungal agent. It is also explored for its applications in sensors for detecting various chemicals, and it may have potential uses in the field of semiconductors and materials science due to its unique chemical properties.

What precautions should be taken when handling O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate (CAS: 23505-41-1)?

When handling O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a fume hood to minimize inhalation risk. Proper spill management procedures should be followed, and in case of skin contact, the affected area should be washed with soap and water immediately. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.