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| CAS No.: | 54079-68-4 |
|---|---|
| Name: | 4-Chloro-3-nitropyridine hydrochloride |
| Molecular Structure: | |
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| Formula: | C5H3ClN2O2.HCl |
| Molecular Weight: | 195.005 |
| 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; |
| EINECS: | -0 |
| Melting Point: | 135-138°C |
| Boiling Point: | 279.9 °C at 760 mmHg |
| Flash Point: | 279.9 °C at 760 mmHg |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 58.71000 |
| LogP: | 2.96840 |
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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