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CAS No.: | 37435-12-4 |
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Name: | 7-CHLORO-1H-INDAZOLE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H5ClN2 |
Molecular Weight: | 152.583 |
Synonyms: | 7-Chloro-1H-indazole;7-Chloroindazole; |
Density: | 1.425 g/cm3 |
Melting Point: | 135-137 °C |
Boiling Point: | 309.536 °C at 760 mmHg |
Flash Point: | 169.922 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 28.68000 |
LogP: | 2.21630 |
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The 7-Chloro-1H-indazole with the CAS number 37435-12-4 is also called 1H-Indazole, 7-chloro-. Its molecular formula is C7H5ClN2. This chemical is irritant. While using it, you should be very cautious. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 7-Chloro-1H-indazole are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 40; (6)ACD/BCF (pH 7.4): 40; (7)ACD/KOC (pH 5.5): 491; (8)ACD/KOC (pH 7.4): 491; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 41.515 cm3; (15)Molar Volume: 107.046 cm3; (16)Polarizability: 16.458×10-24cm3; (17)Surface Tension: 62.289 dyne/cm; (18)Enthalpy of Vaporization: 52.834 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2c1nnc2
(2)InChI: InChI=1/C7H5ClN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
(3)InChIKey: WIYOYUQVNPTVQG-UHFFFAOYAK