Nicotinic acid
Catalog Number
ACM59676-2
CAS
59-67-6
IUPAC Name
Pyridine-3-carboxylic acid
Synonyms
Vitamin B5
Molecular Weight
123.11
Molecular Formula
C6H5NO2
Product Information
Description
Nicotinic acid. It is a precursor of the coenzymes NAD and NADP. Widely distributed in nature; appreciable amounts are found in liver , fish, yeast and cereal grains. Dietary deficiency is associated with pellagra. The term “niacin” has also been applied to nicotinamide or to other derivatives exhibiting the biological activity of nicotinic acid. Vitamin (enzyme cofactor).
Canonical SMILES
C1=CC(=CN=C1)C(=O)O
Inchi
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKey
PVNIIMVLHYAWGP-UHFFFAOYSA-N
Boiling Point
260 °C
Melting Point
236-239 °C(lit.)
Flash Point
193 °C
Purity
99%
Density
1.473 g/cm³
Solubility
Slightly soluble in water
Appearance
White to off-white powder
storage
2-8 °C
Complexity
114
Condition To Avoid
Air Sensitive
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
MDL Number
MFCD00006391
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Reaxys Registry Number
109591
Refractive Index
1.5423
Rotatable Bond Count
1
Signal Word
Warning
Specific Gravity
1.16
Monoisotopic Mass
123.032028402
Topological Polar Surface Area
50.2 Ų
Exact Mass
123.032028402
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