Isoniazid EP Impurity A - CAS 55-22-1

Name: Isoniazid EP Impurity A
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	pyridine-4-carboxylic acid
Description:	An impurity of Isoniazid, an antibiotic used for the treatment of tuberculosis (TB).
Molecular Weight:	123.11
Molecular Formula:	C6H5NO2
Canonical SMILES:	C1=CN=CC=C1C(=O)O
InChI:	InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChI Key:	TWBYWOBDOCUKOW-UHFFFAOYSA-N
Boiling Point:	260 °C at 15 mmHg
Melting Point:	310-315 °C
Flash Point:	260°C/15mm
Purity:	98 %
Density:	1.47 g/cm³
Appearance:	White to off-white crystalline solid
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.
MDL:	MFCD00006429
LogP:	0.77980
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.00789 [mmHg]

GHS Hazard Statement:	H315 (93.1%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
32673658	20200901	Pyridoxal isonicotinoyl hydrazone inhibition of FXR is involved in the pathogenesis of isoniazid-induced liver injury	Toxicology and applied pharmacology
22836617	20130101	CRAC ion channels and airway defense reflexes in experimental allergic inflammation	Advances in experimental medicine and biology
22835274	20121101	Nitric oxide-mediated stress imprint in potato as an effect of exposure to a priming agent	Molecular plant-microbe interactions : MPMI
22925976	20121101	A novel surface-enhanced Raman scattering nanosensor for detecting multiple heavy metal ions based on 2-mercaptoisonicotinic acid functionalized gold nanoparticles	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22588225	20121028	Controlling the rate of electron transfer between a quantum dot and a tri-ruthenium molecular cluster by tuning the chemistry of the interface	Physical chemistry chemical physics : PCCP

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.032028402
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4