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| CAS No.: | 72561-51-4 |
|---|---|
| Name: | 3-AMINO-5-CHLOROINDOLE |
| Molecular Structure: | |
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| Formula: | C8H7ClN2 |
| Molecular Weight: | 166.61 |
| Synonyms: | 3-Amino-5-chloroindole;5-chloro-1H-indol-3-amine;1H-indol-3-amine, 5-chloro-; |
| Density: | 1.435 g/cm3 |
| Boiling Point: | 387.5 °C at 760 mmHg |
| Flash Point: | 188.2 °C |
| PSA: | 41.81000 |
| LogP: | 2.98470 |
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- Total:22 Page 1 of 1 1
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Specification
The 1H-Indol-3-amine,5-chloro-, with the CAS registry number 72561-51-4, has the systematic name of 5-chloro-1H-indol-3-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H7ClN2.
The characteristics of 1H-Indol-3-amine,5-chloro- are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 9.9; (6)ACD/BCF (pH 7.4): 10.48; (7)ACD/KOC (pH 5.5): 176.77; (8)ACD/KOC (pH 7.4): 186.99; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.757; (14)Molar Refractivity: 47.65 cm3; (15)Molar Volume: 116.1 cm3; (16)Polarizability: 18.89×10-24cm3; (17)Surface Tension: 67.1 dyne/cm; (18)Density: 1.435 g/cm3; (19)Flash Point: 188.2 °C; (20)Enthalpy of Vaporization: 63.66 kJ/mol; (21)Boiling Point: 387.5 °C at 760 mmHg; (22)Vapour Pressure: 3.27E-06 mmHg at 25°C.
Uses of 1H-Indol-3-amine,5-chloro-: It can react with 2-chloro-aniline to produce N-(5-chloro-1H-indol-3-yl)-benzene-1,2-diamine. This reaction will need reagent pyridine, potassium carbonate and cupric oxide, and the menstruum pyridine. And the yield is about 62%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc2c(cc1)ncc2N
(2)InChI: InChI=1/C8H7ClN2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H,10H2
(3)InChIKey: ARLLZELGJFWSQA-UHFFFAOYAG