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I1137

Supelco

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:
55-22-1
Molecular Weight:
123.11
Beilstein:
109599
EC Number:
200-228-2
MDL number:
MFCD00006429
UNSPSC Code:
41116107

form

powder

color

yellow to tan

mp

≥300 °C (lit.)

SMILES string

OC(=O)c1ccncc1

InChI

1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)

InChI key

TWBYWOBDOCUKOW-UHFFFAOYSA-N

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Description
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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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