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CAS No.: | 20925-60-4 |
---|---|
Name: | 4-Chloro-1H-indazol-3-amine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H6ClN3 |
Molecular Weight: | 167.598 |
Synonyms: | 3-Amino-4-chloro-1H-indazole; 3-amino-4-chloroindazole; 4-chloro-1H-indazole-3-amine; 1H-Indazol-3-amine,4-chloro; 4-Chlor-3-amino-1H-indazol; 4-Chlor-3-amino-indazol; 查看更多英文别名 收起 |
Density: | 1.533 g/cm3 |
Melting Point: | 159-162 °C |
Boiling Point: | 408.7 °C at 760 mmHg |
Flash Point: | 201 °C |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 54.70000 |
LogP: | 2.37970 |
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The 4-Chloro-1H-indazol-3-amine is an organic compound with the formula C7H6ClN3. The IUPAC name of this chemical is 4-chloro-1H-indazol-3-amine. With the CAS registry number 20925-60-4, it is also named as 1H-indazol-3-amine, 4-chloro-.
Physical properties about 4-Chloro-1H-indazol-3-amine are: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): 1.13; (4)ACD/BCF (pH 5.5): 4.27; (5)ACD/BCF (pH 7.4): 4.28; (6)ACD/KOC (pH 5.5): 98.36; (7)ACD/KOC (pH 7.4): 98.48; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)Polar Surface Area: 21.06 Å2; (11)Index of Refraction: 1.777; (12)Molar Refractivity: 45.75 cm3; (13)Molar Volume: 109.3 cm3; (14)Polarizability: 18.13×10-24cm3; (15)Surface Tension: 79.6 dyne/cm; (16)Density: 1.533 g/cm3; (17)Flash Point: 201 °C; (18)Enthalpy of Vaporization: 66.08 kJ/mol; (19)Boiling Point: 408.7 °C at 760 mmHg; (20)Vapour Pressure: 6.86E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2c1c(nn2)N
(2)InChI: InChI=1/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)
(3)InChIKey: QPLXQNVPEHUPTR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)7(9)11-10-5/h1-3H,(H3,9,10,11)
(5)Std. InChIKey: QPLXQNVPEHUPTR-UHFFFAOYSA-N