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| CAS No.: | 616-45-5 |
|---|---|
| Name: | 2-Pyrrolidinone |
| Article Data: | 255 |
| Molecular Structure: | |
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| Formula: | C4H7NO |
| Molecular Weight: | 85.1057 |
| Synonyms: | 2-Oxopyrrolidine;2-Pyrol; |
| EINECS: | 210-483-1 |
| Density: | 1.047 g/cm3 |
| Melting Point: | 23-25 °C(lit.) |
| Boiling Point: | 245 °C at 760 mmHg |
| Flash Point: | 135.5 °C |
| Solubility: | miscible with water |
| Appearance: | clear colorless liquid or low melting solid |
| Risk Codes: | 22 |
| Safety: | 24/25 |
| Transport Information: | UN 2810 |
| PSA: | 29.10000 |
| LogP: | 0.22520 |
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Chemistry
Molecule structure of 2-Pyrrolidone (CAS NO.616-45-5):
IUPAC Name: Pyrrolidin-2-one
Molecular Formula: C4H7NO
Molecular Weight: 85.1
Melting Point: 23-25 °C(lit.)
Boiling Point: 245 °C(lit.)
Density: 1.12 g/mL at 25 °C(lit.)
Refractive Index: n20/D 1.487(lit.)
Flash Point: >230 °F
Water Solubility: miscible
Molar Refractivity: 21.92 cm3
Molar Volume: 81.2 cm3
Surface Tension: 32.4 dyne/cm
XLogP3: -0.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 3
Exact Mass: 85.052764
MonoIsotopic Mass: 85.052764
Topological Polar Surface Area: 29.1
Heavy Atom Count: 6
Canonical SMILES: C1CC(=O)NC1
InChI: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey: HNJBEVLQSNELDL-UHFFFAOYSA-N
EINECS: 210-483-1
Classification Code: Drug / Therapeutic Agent; Mutation data
Uses
2-Pyrrolidone (CAS NO.616-45-5) is commonly used as raw materials for organic synthesis and solvents. It is used in industrial settings as a high-boiling non-corrosive polar solvent for a wide variety of applications.
2-Pyrrolidone is an intermediate in the manufacture of polymers such as polyvinylpyrrolidone and polypyrrolidone.
Toxicity Data With Reference
| 1. | sln-smc 352,200 µmol/L | EMMUEG Environmental and Molecular Mutagenesis. 11 (1988),31. | ||
| 2. | orl-rat LD50:6500 mg/kg | 34ZIAG Toxicology of Drugs and Chemicals Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,508. | ||
| 3. | scu-mus LDLo:10 g/kg | AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. 50 (1903),199. | ||
| 4. | orl-gpg LD50:6500 mg/kg | 34ZIAG Toxicology of Drugs and Chemicals Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,508. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
RIDADR: 2810
WGK Germany: 1
RTECS: UY5715000
HazardClass: 6.1(b)
PackingGroup: III
Mildly toxic by ingestion and subcutaneous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
2-Pyrrolidone (CAS NO.616-45-5) is also named as 2-Ketopyrrolidine ; 2-Oxopyrrolidine ; 2-Pyrol ; 2-Pyrrolidinone ; 4-Aminobutyric acid lactam ; Butanoic acid, 4-amino-, lactam ; Butyrolactam ; HSDB 2652 ; LAM ; NSC 4593 ; NSC 8413 ; Pyrrolidon ; Pyrrolidon [German] ; Pyrrolidone ; alpha-Pyrrolidinone ; gamma-Aminobutyric acid lactam ; gamma-Aminobutyric lactam ; gamma-Aminobutyrolactam . 2-Pyrrolidone (CAS NO.616-45-5) is clear colorless liquid or low melting solid. It is miscible with a wide variety of other solvents including water, ethanol, diethyl ether, chloroform, benzene, ethyl acetate and carbon disulfide.