Cyanoacetohydrazide - CAS 140-87-4

Name: Cyanoacetohydrazide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009136
Product Name:	Cyanoacetohydrazide
CAS:	140-87-4
Synonyms:	2-cyanoacetohydrazide
Application:	Cyanoacetohydrazide could be used in the treatment of tuberculosis.

Technical Data

IUPAC Name:	2-cyanoacetohydrazide
Description:	Cyanoacetohydrazide, a cyanoaceto compound, could be used in the treatment of tuberculosis.
Molecular Weight:	99.09
Molecular Formula:	C3H5N3O
Canonical SMILES:	C(C#N)C(=O)NN
InChI:	InChI=1S/C3H5N3O/c4-2-1-3(7)6-5/h1,5H2,(H,6,7)
InChI Key:	HPHBOJANXDKUQD-UHFFFAOYSA-N
Boiling Point:	405.6 °C at 760 mmHg
Melting Point:	114.5-115 °C
Purity:	98 %
Density:	1.222 g/cm³
Solubility:	DMSO : ≥ 1.2 mg/mL
Appearance:	Powder
Storage:	-20 °C Freeze
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides and cyanides
MDL:	MFCD00007611
LogP:	-0.01882
pH:	Very slightly acid to litmus; aq soln become discolored after few days & pH becomes alkaline
Stability:	Rapidly decomp by heat

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22790561	20120712	Uses of cyanoacetylhydrazine in heterocyclic synthesis: novel synthesis of pyrazole derivatives with anti-tumor activities	Molecules (Basel, Switzerland)
22719525	20120601	(E)-2-Cyano-N'-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)acetohydrazide	Acta crystallographica. Section E, Structure reports online
22870805	20120601	Antitumor activity of novel pyridine, thiophene and thiazole derivatives	Archives of pharmacal research
22594255	20120501	Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives	Acta poloniae pharmaceutica
22589925	20120401	3β-Chloro-6-[2-(2-cyano-acet-yl)hydrazin-1-yl-idene]-5α-cholestane	Acta crystallographica. Section E, Structure reports online

Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.043261792
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	99.043261792
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3