3-Pyridinecarboxylicacid, hydrochloride (1:1) supplier

Name
NICOTINIC ACID HYDROCHLORIDE
EINECS
CAS No. 636-79-3
Article Data5
CAS DataBase
Density
Solubility
Melting Point 250-255 °C
Formula C₆H₆ClNO₂
Boiling Point 292.5 °C at 760 mmHg
Molecular Weight 159.572
Flash Point 130.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinic acid hydrochloride;
PSA 50.19000
LogP 1.58180

3-Pyridinecarboxylicacid, hydrochloride (1:1) Specification

The 3-Pyridinecarboxylicacid, hydrochloride (1:1), with the CAS registry number 636-79-3, is also known as Nicotinic acid hydrochloride. This chemical's molecular formula is C₆H₆ClNO₂ and molecular weight is 159.5703. What's more, its systematic name is called Pyridine-3-carboxylic acid hydrochloride (1:1).

Physical properties about 3-Pyridinecarboxylicacid, hydrochloride (1:1) are: (1)ACD/LogP: 0.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -2.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å²; (13)Flash Point: 130.7 °C; (14)Enthalpy of Vaporization: 56.18 kJ/mol; (15)Boiling Point: 292.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000836 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cccnc1.Cl
(2) InChI: InChI=1/C6H5NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);1H
(3) InChIKey: IBTWUVRCFHJPKN-UHFFFAOYAC

Product Name

NICOTINIC ACID HYDROCHLORIDE

3-Pyridinecarboxylicacid, hydrochloride (1:1) Specification

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