5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione

Basic Information

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CAS Number

5902-51-2

Molecular Formula

C9H13ClN2O2

Molecular Weight

216.67 g/mol

Basic Physical Properties

Melting Point

175-177°

Boiling Point

386

Refractive Index

1.5388 (estimate)

SMILES

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Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C

InChI

InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)

InChIKey

NBQCNZYJJMBDKY-UHFFFAOYSA-N

LogP

1.2534200000000002

Topological Polar Surface Area

54.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

328

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

Approx. LD orally in rats: >5000 mg/kg (Hill)

Synonyms & References

English

terbacil
3-tert-butyl-5-chloro-6-methyluracil
5-chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione
Terbacil Solution
Terbacil Standard
3-tert-butyl-5-chloro-6-methylpyrimidine-2,4(1H,3H)-dione
5-chloro-3-tert-butyl-6-methyluracil
Caswell No. 821A
Compound 732
Du Pont 732
Du Pont herbicide 732
Geonter
Sinbar
Terbacil100µg
Turbacil
Uracil,3-tert-butyl-5-chloro-6-methyl
3-tert-Butyl-5-chloro-6-methyluracil
3-tert-Butyl-5-chloro-6-methylpyrimidine-2,4(1H,3H)-dione

MDL Number

MFCD00055344

FAQ

What regulatory guidelines apply to 5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione (CAS: 5902-51-2)?

5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It should be handled in compliance with these guidelines to ensure safety and environmental protection.

Are there alternatives to 5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione (CAS: 5902-51-2) in synthesis?

Several alternatives to 5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione exist in synthesis, including other pyrimidinediones and similar functional groups. Common alternatives include analogs and isomers, which may offer different reactivity and properties.

What is the market or research trend for 5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione (CAS: 5902-51-2)?

The market and research trends for 5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione indicate increasing interest in its applications in pharmaceuticals and agricultural chemicals. Recent trends show a focus on its use as an intermediate in drug synthesis and as a fungicide.

How should waste containing 5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione (CAS: 5902-51-2) be handled?

Waste containing 5-Chloro-6-methyl-3-(2-methyl-2-propanyl)-2,4(1H,3H)-pyrimidinedione should be collected in a sealed container and disposed of through incineration or professional waste disposal services. Environmental precautions include proper labeling and handling to prevent contamination and ensure safety during disposal.