Benzene-d5-acetonitrile
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Benzene-d5-acetonitrile
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CAS No:
70026-36-7
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Formula:
C8H2D5N
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Chemical Name:
Benzene-d5-acetonitrile
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Synonyms:
Benzene-d5-acetonitrile;2-(2,3,4,5,6-Pentadeuteriophenyl)acetonitrile
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CAS No:
Characteristics
23.79000
1.75268
1.059 g/mL at 25ºC(lit.)
-24ºC(lit.)
233-234ºC(lit.)
215 °F
n20/D 1.521(lit.)
Safety Information
UN 2470 6.1/PG 3
3
23/24/25-36/38
26-36/37/39-45
T,T+
P260-P280-P284-P301 + P310-P310
H301 + H311-H330
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzene-d5-acetonitrile Use and Manufacturing
Labelled Benzeneacetonitrile. A volatile compound released from apple trees infested with Light brown apple moth larvae.
Computed Properties
Molecular Weight:122.18
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:122.089232957
Monoisotopic Mass:122.089232957
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:114
Isotope Atom Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes