Ethyl pyrazinecarboxylate
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Basic information
- CAS
6924-68-1- Standard SMILES
CCOC(=O)c1cnccn1- InChIKey
SZYQPTAROQANMV-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- Ethyl pyrazinecarboxylate
- IUPAC
- ethyl pyrazine-2-carboxylate
- English name
- ethyl pyrazinecarboxylate
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
6924-68-1Ethyl pyrazinecarboxylateEINECS 230-045-3DTXSID502193022-Pyrazinecarboxylic acid, ethyl esterRefChem:596389DTXCID30141793230-045-3ethyl pyrazine-2-carboxylatePyrazinoic Acid Ethyl EsterMFCD007928872-Pyrazinecarboxylic acid ethyl ester
Show more names
Ethyl 2-pyrazinecarboxylateEthyl Pyrazinoate2-pyrazine ethyl formateEthy1 pyrazinecarboxylateEthyl pyrazine cabroxylate3-ethyl-2-pyrazinecarboxylate
Q7Y9QBJ83ZPyrazinecarboxylic acid, ethyl ester3-carbethoxypyrazineethyl pyrazine carboxylateethylpyrazine-2-carboxylateUNII-Q7Y9QBJ83Zethyl pyrazine-2 carboxylateSCHEMBL2558377
Database identifiers
- CAS
6924-68-1- PubChem CID
- 81341
- DTXSID
DTXSID50219302- UNII
- Q7Y9QBJ83Z
- EC Number
- 230-045-3
- Nikkaji
- J265.962J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
LogP0.28
Physicochemical properties
- Melting point
- 49 °C · 49 °C
- Boiling point
- 120 · 120-122 °C(Press: 6 Torr)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -0.79 · -0.79±0.10(Predicted)
- color
- Brown
- LogP
- 0.28 · 0.280
- FDA UNII
- 7 Y9QBJ83Z · Q7Y9QBJ83Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933119000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesPyrazinoic Acid Ethyl Ester (cas# 6924-68-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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