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CAS No.: | 13194-60-0 |
---|---|
Name: | 3-CHLORO-4-NITROPYRIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H3ClN2O2 |
Molecular Weight: | 158.544 |
Synonyms: | 3-CHLORO-4-NITROPYRIDINE;3-Chloro-4-nitropyridine97%;3-CHLORO-4-NITROPYRIDINE 97% |
EINECS: | -0 |
Density: | 1.489 g/cm3 |
Melting Point: | 25-26℃ |
Boiling Point: | 255.503 °C at 760 mmHg |
Flash Point: | 108.324 °C |
Hazard Symbols: | R22-36/37/38:; |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 58.71000 |
LogP: | 2.16640 |
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The Pyridine,3-chloro-4-nitro-, with CAS registry number 13194-60-0, belongs to the following product categories: (1)Pharmacetical; (2)Pyridines. It has the systematic name of 3-chloro-4-nitropyridine. And the chemical formula of this chemical is C5H3ClN2O2.
Physical properties of Pyridine,3-chloro-4-nitro-: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.17; (6)ACD/BCF (pH 7.4): 3.17; (7)ACD/KOC (pH 5.5): 79.44; (8)ACD/KOC (pH 7.4): 79.44; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 35.78 cm3; (15)Molar Volume: 106.4 cm3; (16)Polarizability: 14.18×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 108.3 °C; (20)Enthalpy of Vaporization: 47.31 kJ/mol; (21)Boiling Point: 255.5 °C at 760 mmHg; (22)Vapour Pressure: 0.026 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Pyridine,3-chloro-4-nitro- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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=[N+]([O-])c1ccncc1Cl
(2)InChI: InChI=1/C5H3ClN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H
(3)InChIKey: CWLVEHGKYCYAIO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H3ClN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H
(5)Std. InChIKey: CWLVEHGKYCYAIO-UHFFFAOYSA-N