Thiocyanic acid, butyl ester
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Thiocyanic acid, butyl ester
structure -
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CAS No:
628-83-1
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Formula:
C5H9NS
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Chemical Name:
Thiocyanic acid, butyl ester
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Synonyms:
Thiocyanic acid,butyl ester;Butane,1-thiocyanato-;Butyl thiocyanate;1-Thiocyanobutane;n-Butyl thiocyanate;NSC 1478
- Categories:
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CAS No:
Thiocyanic acid, butyl ester Basic Attributes
115.19700
115.20
211-056-2
Y19G61H3JY
1478
DTXSID4060860
Safety Information
UN 2810
R22;R32;R36
S26-S36/37/39
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, 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.
Computed Properties
Molecular Weight:115.20
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:115.04557046
Monoisotopic Mass:115.04557046
Topological Polar Surface Area:49.1
Heavy Atom Count:7
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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