CAS No.5231-96-9,2-ACETAMIDOPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5231-96-9
Name:	2-ACETAMIDOPYRIDINE
Article Data:	4

Formula:	C₇H₈N₂O
Molecular Weight:	136.153
Synonyms:	Acetamide,N-2-pyridyl- (8CI);Pyridine, 2-acetamido- (6CI,7CI);2-Acetamidopyridine;2-Acetylaminopyridine;N-(2-Pyridinyl)acetamide;N-2-Pyridylacetamide;NSC28291;
EINECS:	214-589-6
Density:	1.176 g/cm³
Melting Point:	69 °C
Boiling Point:	344.3 °C at 760 mmHg
Flash Point:	162 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	41.99000
LogP:	1.11300

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Specification

The CAS register number of 2-Acetamidopyridine is 5231-96-9. It also can be called as Acetamide,N-2-pyridinyl- and the IUPAC name about this chemical is N-pyridin-2-ylacetamide. It belongs to the pharmacetical.

Physical properties about 2-Acetamidopyridine are: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.31; (6)ACD/KOC (pH 5.5): 28.53; (7)ACD/KOC (pH 7.4): 42.06; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 33.2Å²; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 38.61 cm³; (13)Molar Volume: 115.7 cm³; (14)Polarizability: 15.3x10^-24cm³; (15)Surface Tension: 48.3 dyne/cm; (16)Enthalpy of Vaporization: 58.83 kJ/mol; (17)Boiling Point: 344.3 °C at 760 mmHg; (18)Vapour Pressure: 6.64E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by pyridin-2-ylamine and acetic acid anhydride. The reaction time is 3 hour(s) at heating.

Uses of 2-Acetamidopyridine: it can be used to produce N-pyridin-2-yl-thioacetamide. This reaction will need reagent P₂S₅.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ncccc1)C
(2)InChI: InChI=1/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
(3)InChIKey: QROKOTBWFZITJZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
(5)Std. InChIKey: QROKOTBWFZITJZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	400mg/kg (400mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 1208, 1961.