ACETYL ISOTHIOCYANATE
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ACETYL ISOTHIOCYANATE
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CAS No:
13250-46-9
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Formula:
C3H3NOS
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Chemical Name:
ACETYL ISOTHIOCYANATE
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Synonyms:
acetyl isothiocyanate;AITC cpd;ACETylisoTHIOCYANATE;ethanoyl isothiocyanate;SCHEMBL572191;CTK0H6474;DTXSID80157602;ZINC2386803
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CAS No:
Safety Information
UN 2810 6.1/PG 2
3
14-23/24/25-36/37/38-42
23-26-36/37/39-45
T
P261-P280-P301 + P310-P305 + P351 + P338-P311
H301 + H311 + H331-H315-H319-H334-H335
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P310, P302+P352, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:101.13
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:100.99353489
Monoisotopic Mass:100.99353489
Topological Polar Surface Area:61.5
Heavy Atom Count:6
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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