Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

1H-Imidazole-5-acetonitrile

Related Products

Hot Products

Name

1H-Imidazole-5-acetonitrile

EINECS N/A
CAS No. 18502-05-1 Density 1.228 g/cm3
PSA 52.47000 LogP 0.47578
Solubility Insoluble in water. Melting Point 142 °C
Formula C5H5N3 Boiling Point 393.6 °C at 760 mmHg
Molecular Weight 107.115 Flash Point 132.1 °C
Transport Information N/A Appearance N/A
Safety 22-36/37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 18502-05-1 (4(5)-CYANOMETHYLIMIDAZOLE) Hazard Symbols Xn
Synonyms

1H-Imidazole-4-acetonitrile(9CI);Imidazole-4-acetonitrile (6CI,7CI,8CI);(1H-Imidazol-4-yl)acetonitrile;(1H-Imidazol-5-yl)acetonitrile;4(5)-(Cyanomethyl)imidazole;4-(Cyanomethyl)imidazole;4-Cyanomethyl-1H-imidazole;5-(Cyanomethyl)imidazole;Imidazol-4-ylacetonitrile;

Article Data 17

1H-Imidazole-5-acetonitrile Specification

The 1H-Imidazole-5-acetonitrile, with the CAS registry number 18502-05-1, is also known as 4(5)-Cyanomethylimidazole. This chemical's molecular formula is C5H5N3 and molecular weight is 107.11. Its systematic name is called 1H-imidazol-5-ylacetonitrile.

Physical properties of 1H-Imidazole-5-acetonitrile: (1)ACD/LogP: -0.93; (2)ACD/LogD (pH 5.5): -1.74; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.15; (7)ACD/KOC (pH 7.4): 6.95; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 28.24 cm3; (13)Molar Volume: 87.1 cm3; (14)Surface Tension: 63.3 dyne/cm; (15)Density: 1.228 g/cm3; (16)Flash Point: 132.1 °C; (17)Enthalpy of Vaporization: 64.35 kJ/mol; (18)Boiling Point: 393.6 °C at 760 mmHg; (19)Vapour Pressure: 2.1E-06 mmHg at 25°C.

Uses of 1H-Imidazole-5-acetonitrile: it can be used to produce 2-(1H-imidazol-4-yl)-3-phenyl-acrylonitrile at Ambient temperature. This reaction will need reagent 5N NaOH and solvent methanol with reaction time of 24 hours. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. You should not breathe its dust. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cncn1
(2)InChI: InChI=1/C5H5N3/c6-2-1-5-3-7-4-8-5/h3-4H,1H2,(H,7,8)
(3)InChIKey: DQZBHUXBFNBJLX-UHFFFAOYAF

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 18502-05-1