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1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine

1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine - CAS 333440-71-4

Catalog:	BB021679
Product Name:	1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine
CAS:	333440-71-4
Synonyms:	tert-butyl N-[(4-nitrophenyl)sulfonylamino]carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(4-nitrophenyl)sulfonylamino]carbamate
Description:	1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine (CAS# 333440-71-4 ) is a useful research chemical.
Molecular Weight:	317.32
Molecular Formula:	C11H15N3O6S
Canonical SMILES:	CC(C)(C)OC(=O)NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI:	InChI=1S/C11H15N3O6S/c1-11(2,3)20-10(15)12-13-21(18,19)9-6-4-8(5-7-9)14(16)17/h4-7,13H,1-3H3,(H,12,15)
InChI Key:	NOJCYFMYHGQHAM-UHFFFAOYSA-N
MDL:	MFCD01985162
LogP:	3.51210

Publication Number	Title	Priority Date
US-2006019959-A1	Novel quinoxalinone derivatives	20021029
US-2009137597-A1	Novel quinoxalinone derivatives	20021029
US-7388010-B2	Quinoxalinone derivatives	20021029

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[162894-76-0]
2-Hydroxyethane-1-sulfonamide

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	480
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	317.06815638
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	317.06815638
Rotatable Bond Count:	5
Topological Polar Surface Area:	139 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6