2-Isocyanatobutane
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2-Isocyanatobutane
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CAS No:
15585-98-5
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Formula:
C5H9NO
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Chemical Name:
2-Isocyanatobutane
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Synonyms:
Isocyanic acid,sec-butyl ester; Butane,2-isocyanato; sec-butylisocyanate; 2-isocyanato-butane; 3-butyl isocyanate; pyrido[3,4-b]indole-1,3(2H)-dione; sec-Butylisocyanat;Expand
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CAS No:
Characteristics
29.43000
1.12070
0.864 g/mL at 25ºC(lit.)
101ºC(lit.)
38 °F
n20/D 1.4(lit.)
30.4mmHg at 25°C
Safety Information
UN 3383 6.1/PG 1
R11
S16
F; T+
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P284, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P320, P321, P330, P333+P313, P342+P311, P363, P370+P378, P403+P233, P403+P235, 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.
Computed Properties
Molecular Weight:99.13
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:99.068413911
Monoisotopic Mass:99.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:7
Complexity:84.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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