Benzohydrazide - CAS 613-94-5

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

Technical Data

IUPAC Name:	benzohydrazide
Description:	An impurity of Isoniazid, an antibiotic used for the treatment of tuberculosis (TB).
Molecular Weight:	136.15
Molecular Formula:	C7H8N2O
Canonical SMILES:	C1=CC=C(C=C1)C(=O)NN
InChI:	InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChI Key:	WARCRYXKINZHGQ-UHFFFAOYSA-N
Boiling Point:	307.4 °C at 760 mmHg
Melting Point:	112-114 °C
Purity:	95%
Density:	1.164 g/cm³
Solubility:	Sol in water and alc; slightly sol in ether, acetone, chloroform
Appearance:	White to off-white crystalline powder
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL:	MFCD00007596
LogP:	1.38130
Vapor Pressure:	0.0000778 [mmHg]

GHS Hazard Statement:	H301 (85.71%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
25699604	20150219	Identification of histone deacetylase inhibitors with benzoylhydrazide scaffold that selectively inhibit class I histone deacetylases	Chemistry & biology
24103427	20131115	Synthesis and antimycobacterial activity of isoniazid derivatives from renewable fatty acids	Bioorganic & medicinal chemistry
23208761	20130701	A new dibenzoylhydrazine with insecticidal activity against Anopheles mosquito larvae	Pest management science
23538901	20130328	Synthesis, in vitro antimycobacterial and antibacterial evaluation of IMB-070593 derivatives containing a substituted benzyloxime moiety	Molecules (Basel, Switzerland)
23414843	20130315	An efficient domino reaction in ionic liquid: synthesis and biological evaluation of some pyrano- and thiopyrano-fused heterocycles	Bioorganic & medicinal chemistry letters

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.063662883
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	136.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2