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| CAS No.: | 573764-31-5 |
|---|---|
| Name: | 4-CHLORO-3-IODOANILINE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H5ClIN |
| Molecular Weight: | 253.47 |
| Synonyms: | 4-Chloro-3-iodoaniline; |
| Density: | 2.016 g/cm3 |
| Melting Point: | 70 °C |
| Boiling Point: | 322.297 °C at 760 mmHg |
| Flash Point: | 148.72 °C |
| PSA: | 26.02000 |
| LogP: | 3.10800 |
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- Total:30 Page 1 of 1 1
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Specification
The Benzenamine, 4-chloro-3-iodo- is an organic compound with the formula C6H5ClIN. With the CAS registry number 573764-31-5, the systematic name of this chemical is 4-chloro-3-iodoaniline.
Physical properties about Benzenamine, 4-chloro-3-iodo- are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 471; (5)ACD/BCF (pH 7.4): 473; (6)ACD/KOC (pH 5.5): 2849; (7)ACD/KOC (pH 7.4): 2858; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.02 Å2; (12)Index of Refraction: 1.694; (13)Molar Refractivity: 48.291 cm3; (14)Molar Volume: 125.737 cm3; (15)Polarizability: 19.144×10-24cm3; (16)Surface Tension: 56.407 dyne/cm; (17)Density: 2.016 g/cm3; (18)Flash Point: 148.72 °C; (19)Enthalpy of Vaporization: 56.413 kJ/mol; (20)Boiling Point: 322.297 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(Cl)c(I)c1
(2)InChI: InChI=1/C6H5ClIN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
(3)InChIKey: AWJWTZAGRWNBFC-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H5ClIN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
(5)Std. InChIKey: AWJWTZAGRWNBFC-UHFFFAOYSA-N