N-Methylpyrrole-2-acetonitrile supplier

Name
N-METHYLPYRROLE-2-ACETONITRILE
EINECS 246-248-5
CAS No. 24437-41-0
Article Data21
CAS DataBase
Density 0.976 g/cm³
Solubility
Melting Point 20℃
Formula C₇H₈N₂
Boiling Point 239.84 °C at 760 mmHg
Molecular Weight 120.154
Flash Point 98.852 °C
Transport Information
Appearance
Safety 45
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Pyrrole-2-acetonitrile,1-methyl- (8CI);1-Methyl-1H-pyrrole-2-acetonitrile;1-Methylpyrrole-2-acetonitrile;
PSA 28.72000
LogP 1.09118

N-Methylpyrrole-2-acetonitrile Specification

The 1H-Pyrrole-2-acetonitrile,1-methyl-, with the CAS registry number 24437-41-0, is also known as N-Methylpyrrole-2-acetonitrile. It belongs to the product category of Aminetertiary. Its EINECS registry number is 246-248-5. This chemical's molecular formula is C₇H₈N₂ and molecular weight is 120.1518. Its systematic name is called (1-methyl-1H-pyrrol-2-yl)acetonitrile.

Physical properties of 1H-Pyrrole-2-acetonitrile,1-methyl-: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.27; (5)ACD/BCF (pH 7.4): 1.27; (6)ACD/KOC (pH 5.5): 41.38; (7)ACD/KOC (pH 7.4): 41.38; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.528; (11)Molar Refractivity: 37.93 cm³; (12)Molar Volume: 123.1 cm³; (13)Surface Tension: 36.9 dyne/cm; (14)Density: 0.97 g/cm³; (15)Flash Point: 98.9 °C; (16)Enthalpy of Vaporization: 47.67 kJ/mol; (17)Boiling Point: 239.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0392 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methyl-pyrrole and iodoacetonitrile. This reaction will need reagent 35percent H₂O₂, FeSO₄•H₂O and solvent dimethylsulfoxide.

Uses of 1H-Pyrrole-2-acetonitrile,1-methyl-: it can be used to produce 2-(1-methyl-pyrrol-2-yl)-ethylamine. This reaction will need reagent LiAlH₄ and diethyl ether.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cccn1C
(2)InChI: InChI=1/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3
(3)InChIKey: ROSYAUHHRKAPHX-UHFFFAOYAS

Product Name

N-METHYLPYRROLE-2-ACETONITRILE

N-Methylpyrrole-2-acetonitrile Specification

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