IMIDAZOL-1-YL-ACETONITRILE
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IMIDAZOL-1-YL-ACETONITRILE
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CAS No:
98873-55-3
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Formula:
C5H5N3
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Chemical Name:
IMIDAZOL-1-YL-ACETONITRILE
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Synonyms:
1-Imidazolylacetonitrile (1-(Cyanomethyl) imidazole);1-(Cyanomethyl)imidazole;1-Imidazolylacetonitrile;IMIDAZOL-1-YL-ACETONITRILE;1H-imidazole-1-acetonitrile;2-(1-IMidazolyl)acetonitrile;1H-imidazol-1-ylacetonitrile(SALTDATA: FREE);IMidazal-1-yl-acetonitrile
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CAS No:
IMIDAZOL-1-YL-ACETONITRILE Basic Attributes
107.11
107.048347172
1592732-453-0
DTXSID70472977
2933290090
Characteristics
41.61000
0.40668
1.11±0.1 g/cm3
54.0 to 58.0 °C
116-120 °C(Press: 0.35 Torr)
1.577
5.63±0.10
Safety Information
III
6.1
UN 3439 6.1/PG III
Xi
|Danger|H301+H311+H331 (33.33%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:107.11
XLogP3:-0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:107.048347172
Monoisotopic Mass:107.048347172
Topological Polar Surface Area:41.6
Heavy Atom Count:8
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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