ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate

Basic Information

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CAS Number

776-53-4

Molecular Formula

C8H11N3O2S

Molecular Weight

213.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

133-138°C

Boiling Point

370.3℃ at 760 mmHg

Density

1.31

Flash Point

370.3 °C at 760 mmHg

Refractive Index

1.585

SMILES

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CCOC(=O)C1=CN=C(N=C1N)SC

InChI

InChI=1S/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11)

InChIKey

QINRQIZOBCQKAZ-UHFFFAOYSA-N

LogP

0.9574

Topological Polar Surface Area

78.10000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

203

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

ethyl 4-amino-2-(methylsulfanyl)-5-pyrimidinecarboxylate
BB 0242855
CHEMBL1713273
ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
MFCD00090781
MLS000554777
BDBM55426
Z24688043
SCHEMBL256224
4-Amino-2-methylsulfanyl-pyrimidine-5-carbo xylic acid ethyl ester
DTXSID30278699
IDI1_030478
SMR000146894
ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate
NSC 9310
NSC-9310
4-Amino-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
4-amino-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
776-53-4
CCG-164998
Ethyl 4-amino-2-(methylthio)pyrimidin-5-carboxylate
SY023719
Ethyl 4-amino-2-(methylthio)-pyrimidine-5-carboxylate
FT-0650706
ChemDiv3_014680
Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate, AldrichCPR
5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
Ethyl 4-amino-2-methylmercaptopyrimidine-5-carboxylate
cid_222666
EN300-11207
ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate

MDL Number

MFCD00090781

Customs Code

2933599090

FAQ

What regulatory guidelines apply to ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4)?

Ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4) is classified as a chemical under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is also regulated by the REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) framework in the European Union. In the United States, it is subject to regulatory requirements set by the EPA and FDA concerning labeling, handling, and disposal. Proper documentation and adherence to these guidelines are essential for safe handling and use.

Are there alternatives to ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4) in synthesis?

Ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4) can be synthesized using various reagents and conditions. Common alternatives include 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid or its derivatives, which can be obtained through different synthetic routes. These alternatives may offer similar functional groups and properties, making them suitable for alternative applications.

What is the market or research trend for ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4)?

The market for ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4) is currently stable, with growing interest in its application in pharmaceutical and agricultural sectors. Research trends are focusing on its potential as an intermediate in drug synthesis and as a fungicide. Market demand is driven by its unique chemical properties and its ability to form stable complexes with certain metal ions, making it a valuable compound in various industries.

How should waste containing ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4) be handled?

Waste containing ethyl 4-amino-2-methylsulfanyl-pyrimidine-5-carboxylate (CAS: 776-53-4) should be collected in appropriate containers and stored separately. Proper incineration or professional waste disposal services should be utilized to ensure safe disposal. Environmental precautions include proper labeling of containers and adherence to local regulations to prevent soil and water contamination. Training and safety measures should be in place to handle and dispose of this waste safely and responsibly.