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4-Chloro-3-nitropyridine hydrochloride

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Name

4-Chloro-3-nitropyridine hydrochloride

EINECS -0
CAS No. 54079-68-4 Density N/A
PSA 58.71000 LogP 2.96840
Solubility N/A Melting Point 135-138°C
Formula C5H3ClN2O2.HCl Boiling Point 279.9 °C at 760 mmHg
Molecular Weight 195.005 Flash Point 279.9 °C at 760 mmHg
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 54079-68-4 (4-Chloro-3-nitropyridine hydrochloride) Hazard Symbols N/A
Synonyms

Pyridine,4-chloro-3-nitro-, hydrochloride (6CI);Pyridine, 4-chloro-3-nitro-,monohydrochloride (9CI);3-Nitro-4-chloropyridine hydrochloride;4-Chloro-3-nitropyridine-hydrochloride;

Article Data 2

4-Chloro-3-nitropyridine hydrochloride Specification

The 4-Chloro-3-nitropyridine hydrochloride is an organic compound with the formula C5H3ClN2O2.HCl. The systematic/IUPAC name of this chemical is 4-chloro-3-nitropyridine hydrochloride (1:1). With the CAS registry number 54079-68-4, it is also named as 4-Chloro-3-nitropyridine monohydrochloride. The product's category is Pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 65; (7)ACD/KOC (pH 7.4): 65; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 58.71 Å2; (11)Flash Point: 123.1 °C; (12)Enthalpy of Vaporization: 52.91 kJ/mol; (13)Boiling Point: 279.9 °C at 760 mmHg; (14)Vapour Pressure: 0.00299 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. 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: Cl.Clc1ccncc1N(=O)=O
(2)InChI: InChI=1/C5H3ClN2O2.ClH/c6-4-1-2-7-3-5(4)8(9)10;/h1-3H;1H
(3)InChIKey: YTPDMOPPRVGKEW-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H3ClN2O2.ClH/c6-4-1-2-7-3-5(4)8(9)10;/h1-3H;1H
(5)Std. InChIKey: YTPDMOPPRVGKEW-UHFFFAOYSA-N

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