3-Pentenenitrile
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3-Pentenenitrile
structure -
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CAS No:
4635-87-4
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Formula:
C5H7N
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Chemical Name:
3-Pentenenitrile
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Synonyms:
3-Pentenenitrile;3-Pentenonitrile;Crotyl cyanide;1-Cyano-2-butene
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CAS No:
Description
3-PENTENENITRILE, [LIQUID] is a clear colorless to amber liquid. Less dense than water. Flash point 104°F. Boiling point 296°F. Generally stable and not liable to polymerization. May be toxic by skin absorption, inhalation or ingestion. Prolonged exposure may result in delayed cyanide poisoning. Avoid direct contact with vapors, mists or liquid. May produce cyanide gas and carbon monoxide during combustion. Used in the manufacture of various organic chemicals.
Characteristics
23.79000
1.47618
3-pentenenitrile, [liquid] appears as a clear colorless to amber liquid. Less dense than water. Flash point 104°F. Boiling point 296°F. Generally stable and not liable to polymerization. May be toxic by skin absorption, inhalation or ingestion. Prolonged exposure may result in delayed cyanide poisoning. Avoid direct contact with vapors, mists or liquid. May produce cyanide gas and carbon monoxide during combustion. Used in the manufacture of various organic chemicals.
0.8430 g/cm3 @ Temp: 18.8 °C
85-87 °C @ Press: 110 Torr
40ºC
n20/D 1.422
less than 1 mg/mL at 66° F (NTP, 1992)
24.9 mm Hg ( 50 °C)
Safety Information
II
UN 3275 6.1/PG 2
3
R10
45-41-36/37/39-14
T: Toxic;
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501
H226
Computed Properties
Molecular Weight:81.12
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:81.057849228
Monoisotopic Mass:81.057849228
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:83.4
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes