3-(4-nitrobenzyl)isothiourea HBr

About This Item

Molecular Formula	C₈H₁₀BrN₃O₂S
CAS Number	64039-36-7

FC-0703426

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Properties

Chemical Identifiers

IUPAC Name	(4-nitrophenyl)methyl carbamimidothioate;hydrobromide
SMILES	C1=CC(=CC=C1CSC(=N)N)[N+](=O)[O-].Br
InChI Key	LKCKOVQQQIRZIC-UHFFFAOYSA-N
InChI	InChI=1S/C8H9N3O2S.BrH/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13;/h1-4H,5H2,(H3,9,10);1H

Physical Properties

Boiling Point	387.7ºC at 760mmHg
Flash Point	188.3ºC

Safety Information

Flash Point

188.3ºC

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.