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| CAS No.: | 70237-25-1 |
|---|---|
| Name: | 3-CHLORO-2-IODO-PHENYLAMINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5ClIN |
| Molecular Weight: | 253.47 |
| Synonyms: | Benzenamine, 3-chloro-2-iodo-; |
| Density: | 2.015 g/cm3 |
| Boiling Point: | 303.5 °C at 760 mmHg |
| Flash Point: | 137.4 °C |
| PSA: | 26.02000 |
| LogP: | 3.10800 |
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- Total:33 Page 1 of 1 1
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Specification
The 3-Chloro-2-iodoaniline, with the CAS registry number 70237-25-1, is also known as Benzenamine, 3-chloro-2-iodo-. This chemical's molecular formula is C6H5ClIN and molecular weight is 253.47. What's more, its systematic name is 3-Chloro-2-iodoaniline.
Physical properties about 3-Chloro-2-iodoaniline are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 239.57; (6)ACD/BCF (pH 7.4): 239.6; (7)ACD/KOC (pH 5.5): 1757.1; (8)ACD/KOC (pH 7.4): 1757.27; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 48.29 cm3; (15)Molar Volume: 125.7 cm3; (16)Polarizability: 19.14×10-24 cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 2.015 g/cm3; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 54.38 kJ/mol; (21)Boiling Point: 303.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000925 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cccc(Cl)c1I
(2) InChI: InChI=1/C6H5ClIN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
(3) InChIKey: NNVUXUJYVIVRKU-UHFFFAOYAT