2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester
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2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester
structure -
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CAS No:
79277-18-2
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Formula:
C7H5NO5S2
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Chemical Name:
2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester
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Synonyms:
2-Thiophenecarboxylic acid,3-(isocyanatosulfonyl)-,methyl ester;Methyl 3-(isocyanatosulfonyl)thiophene-2-carboxylate
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CAS No:
2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester Basic Attributes
247.25
247.25
410-550-7
DTXSID2073647
Safety Information
2-14-42/43-48/22
22-30-35-36/37
E,Xn
|Danger|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P260, P261, P272, P280, P285, P302+P352, P304+P341, P314, P321, P333+P313, P342+P311, P363, and P501|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P261, P264, P271, P272, P280, P285, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P314, P321, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 13 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester Use and Manufacturing
Intermediates
Agro/pesticide
Pesticide, fertilizer, and other agricultural chemical manufacturing|2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:247.3
XLogP3:2.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:246.96091461
Monoisotopic Mass:246.96091461
Topological Polar Surface Area:127
Heavy Atom Count:15
Complexity:392
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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