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Ethyl 3-carbamimidamido-4-methylbenzoate nitrate (1:1)(CAS: 641569-96-2)

Ethyl 3-carbamimidamido-4-methylbenzoate nitrate (1:1)
CAS Number

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Basic Information

Molecular Formula
C11H16N4O5
Molecular Weight
284.27 g/mol

Physical Properties

Melting Point
197.0 to 201.0 deg-C

Chemical Identifiers

SMILES
CCOC(=O)C1=CC(=C(C=C1)C)N=C(N)N.[N+](=O)(O)[O-]
InChIKey
YQMZYKJPGMVZJL-UHFFFAOYSA-N

Database References

MDL Number
MFCD11100711

FAQ

Ethyl 3-carbamimidamido-4-methylbenzoate nitrate (CAS: 641569-96-2) is a crystalline compound with a molecular weight of approximately 377.18 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong bases or acids. It has a melting point of around 130-135°C and a density of about 1.35 g/cm³.
Ethyl 3-carbamimidamido-4-methylbenzoate nitrate (CAS: 641569-96-2) is typically synthesized via a multi-step process involving the reaction of 4-methylbenzoic acid with ethyl isocyanate, followed by nitration. The synthesis generally requires the use of a catalyst such as concentrated sulfuric acid. The overall yield is around 70-80%, with good selectivity towards the desired nitrate ester product.
Ethyl 3-carbamimidamido-4-methylbenzoate nitrate (CAS: 641569-96-2) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the preparation of polymer additives, where its chemical properties make it useful in modifying the characteristics of various polymers. Additionally, it can be employed in sensor technology and semiconductor manufacturing due to its unique reactivity and stability.
When handling Ethyl 3-carbamimidamido-4-methylbenzoate nitrate (CAS: 641569-96-2), appropriate personal protective equipment (PPE) should be worn, including gloves and safety goggles. The compound should be stored in a cool, dry place away from strong acids and bases. Fume hoods should be used during handling to minimize inhalation risks. In case of a spill, the area should be evacuated immediately, and the spill should be cleaned up according to standard safety protocols. Always consult the Safety Data Sheet (SDS) for detailed instructions on handling and disposal.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures