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| CAS No.: | 29646-35-3 |
|---|---|
| Name: | 5-CHLORO-1H-INDAZOLE-3-CARBONITRILE |
| Molecular Structure: | |
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| Formula: | C8H4ClN3 |
| Molecular Weight: | 177.593 |
| Synonyms: | 3-Cyano-5-chloro-1H-indazole;5-Chloro-1H-indazole-3-carbonitrile; |
| Density: | 1.5 g/cm3 |
| Boiling Point: | 403 °C at 760 mmHg |
| Flash Point: | 197.5 °C |
| PSA: | 52.47000 |
| LogP: | 2.08798 |
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Specification
The 5-Chloro-1H-indazole-3-carbonitrile with its cas register number is 29646-35-3. It also can be called as 3-Cyano-5-chloro-1H-indazole and the Systematic name about this chemical is 5-chloro-1H-indazole-3-carbonitrile. It belongs to the Indazole.
Physical properties about 5-Chloro-1H-indazole-3-carbonitrile are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): 1.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 15.04; (5)ACD/BCF (pH 7.4): 14.96; (6)ACD/KOC (pH 5.5): 242.28; (7)ACD/KOC (pH 7.4): 241.02; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 52.47Å2; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 45.42 cm3; (13)Molar Volume: 118 cm3; (14)Polarizability: 18x10-24cm3; (15)Surface Tension: 79.1 dyne/cm; (16)Enthalpy of Vaporization: 65.42 kJ/mol; (17)Vapour Pressure: 1.05E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)c(n[nH]2)C#N
(2)InChI: InChI=1/C8H4ClN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
(3)InChIKey: QMIBICADHKQAJK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H4ClN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
(5)Std. InChIKey: QMIBICADHKQAJK-UHFFFAOYSA-N