3-Pyridinecarboxamide,2-chloro-N-(phenylmethyl)- supplier

Name
N3-BENZYL-2-CHLORONICOTINAMIDE
EINECS
CAS No. 65423-28-1
Article Data9
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 120 °C
Formula C₁₃H₁₁ClN₂O
Boiling Point 448 °C at 760 mmHg
Molecular Weight 246.696
Flash Point 224.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloronicotinicacid benzylamide;N-Benzyl-2-chloronicotinamide;
PSA 41.99000
LogP 3.05590

3-Pyridinecarboxamide,2-chloro-N-(phenylmethyl)- Specification

The 3-Pyridinecarboxamide,2-chloro-N-(phenylmethyl)-, with the CAS registry number 65423-28-1, is also known as 2-Chloronicotinic acid benzylamide. This chemical's molecular formula is C₁₃H₁₁ClN₂O and molecular weight is 246.69224. Its IUPAC name is called N-benzyl-2-chloropyridine-3-carboxamide. You should keep it only in the original container in a cool, dry place away from oxidant.

Physical properties of 3-Pyridinecarboxamide,2-chloro-N-(phenylmethyl)-: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2.34; (3)ACD/LogD (pH 7.4): 2.34; (4)ACD/BCF (pH 5.5): 35.09; (5)ACD/BCF (pH 7.4): 35.09; (6)ACD/KOC (pH 5.5): 444.25; (7)ACD/KOC (pH 7.4): 444.25; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 67.34 cm³; (13)molar volume: 195.6 cm³; (14)Surface Tension: 50.8 dyne/cm; (15)Density: 1.26 g/cm³; (16)Flash Point: 224.8 °C; (17)Enthalpy of Vaporization: 70.65 kJ/mol; (18)Boiling Point: 448 °C at 760 mmHg; (19)Vapour Pressure: 3.21E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)Cl
(2)InChI: InChI=1S/C13H11ClN2O/c14-12-11(7-4-8-15-12)13(17)16-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
(3)InChIKey: XSXUVPQJEQBSSO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	780mg/kg (780mg/kg)		Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(11), Pg. 78, 1977.

Product Name

N3-BENZYL-2-CHLORONICOTINAMIDE

3-Pyridinecarboxamide,2-chloro-N-(phenylmethyl)- Specification

Related Products

Hot Products