Ethoxycarbonyl isothiocyanate
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Ethoxycarbonyl isothiocyanate
structure -
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CAS No:
16182-04-0
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Formula:
C4H5NO2S
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Chemical Name:
Ethoxycarbonyl isothiocyanate
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Synonyms:
Carbon(isothiocyanatidic) acid,ethyl ester;Carbonic acid,monoanhydride with isothiocyanic acid,ethyl ester;Carbonic acid,ethyl ester,anhydride with isothiocyanic acid;Ethyl isothiocyanatoformate;Carbethoxyisothiocyanate;Ethoxycarbonyl isothiocyanate;Carbonic acid ethyl ester isothiocyanate;Ethoxycarbonyl mustard oil;NSC 158480;Ethyl isothiocyanatocarbonate;Ethyl carbonisothiocyanatidate;O-Ethyl carbonisothiocyanatidate;37488-67-8
- Categories:
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CAS No:
Ethoxycarbonyl isothiocyanate Basic Attributes
131.15
131.15
606091
240-318-9
158480
DTXSID50167253
29309090
Characteristics
70.8
2.03
1.112 g/mL at 25 °C(lit.)
56 °C @ Press: 18 Torr
123 °F
n 20/D 1.500(lit.)
Soluble in chloroform and ether.
2-8°C
Safety Information
III
3
UN 2929 6.1/PG 2
3
23-36/37/38-42
23-26-36/37/39-45
T,Xi
P261-P280-P305 + P351 + P338-P311
H226-H315-H317-H319-H331-H334-H335
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:131.16
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:131.00409958
Monoisotopic Mass:131.00409958
Topological Polar Surface Area:70.8
Heavy Atom Count:8
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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