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| CAS No.: | 69778-83-2 |
|---|---|
| Name: | 4-METHOXY-3-PYRROLIN-2-ONE |
| Molecular Structure: | |
|
|
|
| Formula: | C5H7 N O2 |
| Molecular Weight: | 113.116 |
| Synonyms: | 3-Pyrrolin-2-one,4-methoxy- (7CI); 4-Methoxy-1,5-dihydropyrrol-2-one; 4-Methoxy-3-pyrrolin-2-one |
| EINECS: | -0 |
| Density: | 1.16 g/cm3 |
| Melting Point: | 129-132 °C(lit.) |
| Boiling Point: | 349.6 °C at 760 mmHg |
| Flash Point: | 165.2 °C |
| Appearance: | white to yellow-beige crystals or crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 22 24 25 |
| PSA: | 38.33000 |
| LogP: | -0.02470 |
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- Total:37 Page 1 of 1 1
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Chemistry
Product Name: 4-Methoxy-3-pyrrolin-2-one (CAS NO.69778-83-2)
Molecular Formula: C5H7NO2
Molecular Weight: 113.11g/mol
Mol File: 69778-83-2.mol
Appearance: white to yellow-beige crystals
Melting Point: 129-132 °C(lit.)
Boiling point: 349.6 °C at 760 mmHg
Flash Point: 165.2 °C
Density: 1.16 g/cm3
Index of Refraction: 1.495 Molar Refractivity: 28.33 cm3
Molar Volume: 97 cm3
Surface Tension: 36.3 dyne/cm
Enthalpy of Vaporization: 59.41 kJ/mol
Vapour Pressure: 4.65E-05 mmHg at 25°C
XLogP3-AA: -0.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 4-Methoxy-3-pyrrolin-2-one (CAS NO.69778-83-2):
IUPAC Name: 3-methoxy-1,2-dihydropyrrol-5-one
Canonical SMILES: COC1=CC(=O)NC1
InChI: InChI=1S/C5H7NO2/c1-8-4-2-5(7)6-3-4/h2H,3H2,1H3,(H,6,7)
InChIKey: TXKQBYYDTLOLHA-UHFFFAOYSA-N
Product Categories: Building Blocks; Heterocyclic Building Blocks; Pyrrolines
Safety Profile
Safety Information of 4-Methoxy-3-pyrrolin-2-one (CAS NO.69778-83-2):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Specification
4-Methoxy-3-pyrrolin-2-one , its CAS NO. is 69778-83-2, the synonyms are 2H-Pyrrol-2-one, 1,5-dihydro-4-methoxy- ; 1H-2-Pyrrolone, 4-methoxy-2,5-dihydro ; 4-Methoxy-1,5-dihydro-2H-pyrrol-2-one .