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| CAS No.: | 74534-15-9 |
|---|---|
| Name: | 1-chloro-2-iodo-4-nitro-benzene |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C6H3ClINO2 |
| Molecular Weight: | 283.453 |
| Synonyms: | 1-Chloro-2-iodo-4-nitrobenzene;4-Chloro-3-iodonitrobenzene;NSC 223078;1-chloro-2-iodo-4-nitrobenzene; |
| EINECS: | 200-258-5 |
| Density: | 2.094 g/cm3 |
| Melting Point: | 78 °C |
| Boiling Point: | 315.7 °C at 760 mmHg |
| Flash Point: | 144.7 °C |
| PSA: | 45.82000 |
| LogP: | 3.37600 |
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- Total:38 Page 1 of 1 1
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Specification
The 1-Chloro-2-iodo-4-nitrobenzene, with the CAS registry number 74534-15-9, is also known as 4-Chloro-3-iodonitrobenzene. This chemical's molecular formula is C6H3ClINO2 and molecular weight is 283.45. What's more, its systematic name is 1-chloro-2-iodo-4-nitrobenzene.
Physical properties of 1-Chloro-2-iodo-4-nitrobenzene are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.671; (8)Molar Refractivity: 50.6 cm3; (9)Molar Volume: 135.2 cm3; (10)Polarizability: 20.05×10-24 cm3; (11)Surface Tension: 58.5 dyne/cm; (12)Density: 2.094 g/cm3; (13)Flash Point: 144.7 °C; (14)Enthalpy of Vaporization: 53.48 kJ/mol; (15)Boiling Point: 315.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000797 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Ic1cc([N+]([O-])=O)ccc1Cl
(2)InChI: InChI=1/C6H3ClINO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
(3)InChIKey: LOQLBMYYBHCMJJ-UHFFFAOYAS