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Home > Encyclopedia > 4-(1H-IMIDAZOL-1-YL)BENZONITRILE

4-(1H-IMIDAZOL-1-YL)BENZONITRILE

4-(1H-IMIDAZOL-1-YL)BENZONITRILE structure

4-(1H-IMIDAZOL-1-YL)BENZONITRILE 

structure
  • CAS No:

    25372-03-6

  • Formula:

    C10H7N3

  • Chemical Name:

    4-(1H-IMIDAZOL-1-YL)BENZONITRILE

  • Synonyms:

    BUTTPARK 96\50-66;1-(4-CYANOPHENYL)IMIDAZOLE;4-IMIDAZOL-1-YL-BENZONITRILE;4-(1-IMIDAZOLYL)BENZONITRILE;4-(1H-IMIDAZOL-1-YL)BENZONITRILE;4-(1H-IMIDAZOL-1-YL)BENZENECARBONITRILE;4-(1H-Imidazol-1-yl)benzonitrile,97%;JR-13658, 4-(1H-Imidazol-1-yl)benzonitrile, 96%

4-(1H-IMIDAZOL-1-YL)BENZONITRILE Basic Attributes

169.18

169.063997236 g/mol

DTXSID70180020

Characteristics

41.61000

1.74398

off-white crystalline powder

1.13±0.1 g/cm3

151-153 °C

358.1±25.0 °C(Predicted)

170.4ºC

1.623

0mmHg at 25°C

4.85±0.10

Safety Information

III

IRRITANT

3276

20/21/22

36/37

Xn

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:169.18
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.063997236
Monoisotopic Mass:169.063997236
Topological Polar Surface Area:41.6
Heavy Atom Count:13
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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