2-METHYLBUTYLISOTHIOCYANATE
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2-METHYLBUTYLISOTHIOCYANATE
structure -
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CAS No:
4404-51-7
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Formula:
C6H11NS
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Chemical Name:
2-METHYLBUTYLISOTHIOCYANATE
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Synonyms:
2-METHYLBUTYLISOTHIOCYANATE;1-Isothiocyanato-2-methylbutane;2-Methylbutylisothiocyanate,95+%;2-Methyl-1-butylisothiocyanate,95%
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CAS No:
Safety Information
III
6.1
UN 2810
R23/24/25
S45-S36-S37-S39
P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301
|Danger|H301 (16.67%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:129.23
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:129.06122053
Monoisotopic Mass:129.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:8
Complexity:94.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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