CAS No.15438-71-8,(HYDROXYMETHYL)-2-PYRROLIDINONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15438-71-8
Name:	(HYDROXYMETHYL)-2-PYRROLIDINONE
Article Data:	24

Formula:	C₅H₉NO₂
Molecular Weight:	115.132
Synonyms:	N-Methylol-2-pyrrolidinone;N-Methylol-2-pyrrolidone;N-Methylolpyrrolidinone;N-Methylolpyrrolidone;NSC84227;1-Hydroxymethyl-2-pyrrolidinone;1-(Hydroxymethyl)-2-pyrrolidone;N-(Hydroxymethyl)-2-pyrrolidinone;N-(Hydroxymethyl)-2-pyrrolidone;
EINECS:	239-451-5
Density:	1.213 g/cm³
Melting Point:	77-79.5 °C
Boiling Point:	291.1 °C at 760 mmHg
Flash Point:	129.9 °C
PSA:	40.54000
LogP:	-0.50350

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Specification

The 2-Pyrrolidinone,1-(hydroxymethyl)- is an organic compound with the formula C₅H₉NO₂. The IUPAC name of this chemical is 1-(Hydroxymethyl)pyrrolidin-2-one. With the CAS registry number 15438-71-8, it is also named as 1-(Hydroxymethyl)-2-pyrrolidone. Besides, its molecular weight is 115.13.

The physical properties of 2-Pyrrolidinone,1-(hydroxymethyl)- are: (1)ACD/LogP: -1.19; (2)ACD/LogD (pH 5.5): -1.19; (3)ACD/LogD (pH 7.4): -1.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.34; (7)ACD/KOC (pH 7.4): 5.34; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 28.37 cm³; (14)Molar Volume: 94.8 cm³; (15)Polarizability: 11.24×10^-24 cm³; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.213 g/cm³; (18)Flash Point: 129.9 °C; (19)Enthalpy of Vaporization: 61.56 kJ/mol; (20)Boiling Point: 291.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000215 mmHg at 25 °C.

Preparation: this chemical can be prepared by Pyrrolidin-2-one and Formaldehyde. This reaction will need reagent K₂CO₃ and solvents H₂O and acetone. The reaction time is 30 min. The yield is about 96%.

2-Pyrrolidinone,1-(hydroxymethyl)- can be obtained by Pyrrolidin-2-one and Formaldehyde

Uses of 2-Pyrrolidinone,1-(hydroxymethyl)-: it and Chloro-trimethyl-silane can be used to produce 1-Trimethylsilanyloxymethyl-pyrrolidin-2-one. It will need reagent Et₃N and solvent diethyl ether with reaction time of 24 hours. The yield is about 49%.

2-Pyrrolidinone,1-(hydroxymethyl)- and Chloro-trimethyl-silane can be used to produce 1-Trimethylsilanyloxymethyl-pyrrolidin-2-one

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CO)CCC1
(2)InChI: InChI=1/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2
(3)InChIKey: PJEXUIKBGBSHBS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2
(5)Std. InChIKey: PJEXUIKBGBSHBS-UHFFFAOYSA-N