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Cas Database |
| Name |
(R)-5-Bromomethyl-2-pyrrolidinone |
EINECS | N/A |
| CAS No. | 98612-60-3 | Density | 1.541 g/cm3 |
| PSA | 29.10000 | LogP | 0.98870 |
| Solubility | N/A | Melting Point |
76-80°C |
| Formula | C5H8BrNO | Boiling Point | 336.1 °C at 760 mmHg |
| Molecular Weight | 178.03 | Flash Point | 157.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37 | Risk Codes | 22-36-43 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
2-Pyrrolidinone,5-(bromomethyl)-, (R)-;(R)-5-Bromomethylpyrrolidin-2-one; |
Article Data | 6 |
(R)-5-Bromomethyl-2-pyrrolidinone Specification
The CAS register number of (R)-5-Bromomethyl-2-pyrrolidinone is 98612-60-3. It also can be called as 2-Pyrrolidinone,5-(bromomethyl)-, (5R)- and the IUPAC name about this chemical is (5R)-5-(bromomethyl)pyrrolidin-2-one. It belongs to the pharmacetical.
Physical properties about (R)-5-Bromomethyl-2-pyrrolidinone are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 29.1Å2; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 34.35 cm3; (7)Molar Volume: 115.4 cm3; (8)Polarizability: 13.61x10-24cm3; (9)Surface Tension: 37 dyne/cm; (10)Enthalpy of Vaporization: 57.92 kJ/mol; (11)Boiling Point: 336.1 °C at 760 mmHg; (12)Vapour Pressure: 0.000115 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC[C@H](CBr)N1
(2)InChI: InChI=1/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m1/s1
(3)InChIKey: QFOSFXPTXNRRMF-SCSAIBSYBL
(4)Std. InChI: InChI=1S/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m1/s1
(5)Std. InChIKey: QFOSFXPTXNRRMF-SCSAIBSYSA-N
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