3-Pyridinecarboxylicacid, 2-chloro-, hydrochloride (1:1) supplier

Name
2-CHLORONICOTINIC ACID HYDROCHLORIDE
EINECS
CAS No. 56055-55-1
Density
Solubility
Melting Point
Formula C₆H₅Cl₂NO₂
Boiling Point 316.8 °C at 760 mmHg
Molecular Weight 194.017
Flash Point 145.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarboxylicacid, 2-chloro-, hydrochloride (9CI);2-Chloronicotinic acid hydrochloride;
PSA 50.19000
LogP 2.23520

3-Pyridinecarboxylicacid, 2-chloro-, hydrochloride (1:1) Specification

The 3-Pyridinecarboxylicacid, 2-chloro-, hydrochloride (1:1), with the CAS registry number 56055-55-1, has the systematic name of 2-chloropyridine-3-carboxylic acid hydrochloride. It belongs to the product category of Pyridines. And the molecular formula of the chemical is C₆H₅Cl₂NO₂.

The characteristics of 3-Pyridinecarboxylicacid, 2-chloro-, hydrochloride (1:1) are as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.61; (4)ACD/LogD (pH 7.4): -2.78; (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: 145.4 °C; (14)Enthalpy of Vaporization: 58.93 kJ/mol; (15)Boiling Point: 316.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000168 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1cccnc1Cl.Cl
(2)InChI: InChI=1/C6H4ClNO2.ClH/c7-5-4(6(9)10)2-1-3-8-5;/h1-3H,(H,9,10);1H
(3)InChIKey: HGILEOFUZXHTHB-UHFFFAOYAA

Product Name

2-CHLORONICOTINIC ACID HYDROCHLORIDE

3-Pyridinecarboxylicacid, 2-chloro-, hydrochloride (1:1) Specification

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