Heptyl isothiocyanate
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Heptyl isothiocyanate
structure -
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CAS No:
4426-83-9
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Formula:
C8H15NS
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Chemical Name:
Heptyl isothiocyanate
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Synonyms:
Heptane,1-isothiocyanato-;Isothiocyanic acid,heptyl ester;1-Isothiocyanatoheptane;Heptyl isothiocyanate;1-Heptyl isothiocyanate
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CAS No:
Safety Information
II
6.1
2810
R36/37/38
S36/37/39-S26
Xn
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:157.28
XLogP3:4.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:157.09252066
Monoisotopic Mass:157.09252066
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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