5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione

Basic Information

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CAS Number

314-40-9

Molecular Formula

C9H13BrN2O2

Molecular Weight

261.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

157-160 ºC

Boiling Point

317° F (Sublimes) (NIOSH, 2016)

Refractive Index

1.5410 (estimate)

SMILES

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CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C

InChI

InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)

InChIKey

CTSLUCNDVMMDHG-UHFFFAOYSA-N

LogP

1.57852

Topological Polar Surface Area

54.86 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

312

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

H400

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Stability

Stable. Incompatible with strong acids, strong oxidizing agents.

Toxicity

LD50 orally in rats: 5200 mg/kg (Sherman, Kaplan)

Synonyms & References

English

5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione
5-bromo-3-sec-butyl-6-methyluracil
5-Bromo-6-Methyl-3-(1-Methylpropyl)-2,4(1h,3h)-Pyrimidinedione
Du Pont Herbicide 976
Bromacil
Bromacil Solution
Bromacil Standard
Organonitrogen Pesticides Mix
(RS)-5-bromo-3-sec-butyl-6-methyluracil
5-Br
5-bromo-3-s-butyl-6-methyluracil
5-Bromo-3-sec.-butyl-6-methyluracil
Borea
Bromacil100µg
Bromax
hibor
Hyvar
Nalkil
rac-(3R)-5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione
Rout
Uragon
Urox B
5-Bromo-3-sec-butyl-6-methyluracil
5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1h,3h)-pyrimidinedione

MDL Number

MFCD00055364

Customs Code

2933599014

FAQ

What is 5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione (CAS: 314-40-9)?

5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione is a chemical compound with the CAS number 314-40-9. It is a pyrimidine derivative with a bromine atom and a sec-butyl group attached to the 3-position, and a methyl group attached to the 6-position. This compound is typically colorless or white crystals with a melting point of approximately 223-224°C.

What are the main uses of 5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione (CAS: 314-40-9)?

5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione is primarily used in the synthesis of other chemicals and pharmaceuticals. It serves as a precursor in organic synthesis and is used in research for drug development and in the synthesis of certain bioactive compounds.

Is 5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione (CAS: 314-40-9) safe?

5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione is safe when handled with appropriate precautions. It is a solid compound and should be kept away from heat, sparks, and open flames. It is not considered harmful if swallowed but may cause irritation upon contact with skin or eyes. Protective gloves and goggles should be worn during handling. Storage in a cool, dry place is recommended.

How should 5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione (CAS: 314-40-9) be stored?

5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store it in a tightly sealed container to prevent moisture absorption. The temperature should be maintained below 30°C, and humidity should be kept low to ensure the stability of the compound.