I1137
Isonicotinic acid
powder
Synonym(s):
4-Picolinic acid, Pyridine-4-carboxylic acid
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About This Item
Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
Molecular Weight:
123.11
EC Number:
200-228-2
UNSPSC Code:
41116107
MDL number:
Beilstein/REAXYS Number:
109599
InChI
1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChI key
TWBYWOBDOCUKOW-UHFFFAOYSA-N
SMILES string
OC(=O)c1ccncc1
form
powder
color
yellow to tan
mp
≥300 °C (lit.)
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Nigel Greene et al.
Chemical research in toxicology, 23(7), 1215-1222 (2010-06-18)
Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification of potential
Zhichao Liu et al.
PLoS computational biology, 7(12), e1002310-e1002310 (2011-12-24)
Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI types (hepatotoxic side effects) seen in the clinic can be translated
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