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| CAS No.: | 909036-46-0 |
|---|---|
| Name: | 2-CHLORO-3-IODOPYRIDIN-4-AMINE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C5H4ClIN2 |
| Molecular Weight: | 254.458 |
| Synonyms: | 2-CHLORO-3-IODOPYRIDIN-4-AMINE;2-Chloro-3-iodo-4-aminopyridine;4-Amino-2-chloro-3-iodopyridine;4-PyridinaMine, 2-chloro-3-iodo- |
| Density: | 2.139g/cm3 |
| Melting Point: | 116-117℃ |
| Boiling Point: | 377.042 °C at 760 mmHg |
| Flash Point: | 181.829 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 22 |
| PSA: | 38.91000 |
| LogP: | 2.50300 |
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Specification
The 4-Pyridinamine,2-chloro-3-iodo-, with CAS registry number 909036-46-0, has the systematic name of 2-chloro-3-iodo-pyridin-4-amine. And its IUPAC name is the same one. The chemical formula of this chemical is C5H4ClIN2.
Physical properties of 4-Pyridinamine,2-chloro-3-iodo-: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.986; (4)ACD/LogD (pH 7.4): 2.988; (5)ACD/BCF (pH 5.5): 109.505; (6)ACD/BCF (pH 7.4): 109.815; (7)ACD/KOC (pH 5.5): 1002.498; (8)ACD/KOC (pH 7.4): 1005.338; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 46.382 cm3; (15)Molar Volume: 118.961 cm3; (16)Polarizability: 18.387×10-24cm3; (17)Surface Tension: 65.738 dyne/cm; (18)Enthalpy of Vaporization: 62.476 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(c(c1N)I)Cl
(2)InChI: InChI=1/C5H4ClIN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
(3)InChIKey: BYVMKCHHWASQFN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H4ClIN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
(5)Std. InChIKey: BYVMKCHHWASQFN-UHFFFAOYSA-N