Ethyl 2-isothiocyanatoacetate
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Ethyl 2-isothiocyanatoacetate
structure -
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CAS No:
24066-82-8
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Formula:
C5H7NO2S
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Chemical Name:
Ethyl 2-isothiocyanatoacetate
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Synonyms:
Acetic acid,2-isothiocyanato-,ethyl ester;Acetic acid,isothiocyanato-,ethyl ester;Ethyl 2-isothiocyanatoacetate;Carbethoxymethyl isothiocyanate;Carboethoxymethyl isothiocyanate;Ethyl isothiocyanatoacetate;Ethoxycarbonylmethyl isothiocyanate;Isothiocyanatoacetic acid ethyl ester
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CAS No:
Safety Information
IRRITANT-HARMFUL
UN 2810 6.1/PG 2
3
20/21/22-36/37/38
26-36/37/39
AI5020000
Xn
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 2-isothiocyanatoacetate Use and Manufacturing
Acetic acid, 2-isothiocyanato-, ethyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:145.18
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:145.01974964
Monoisotopic Mass:145.01974964
Topological Polar Surface Area:70.8
Heavy Atom Count:9
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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