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CAS No.: | 99803-85-7 |
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Name: | 6-Chloro-5-fluorobenzotriazole |
Molecular Structure: | |
Formula: | C6H3ClFN3 |
Molecular Weight: | 171.56 |
Synonyms: | 6-CHLORO-5-FLUORO-1H-1,2,3-BENZOTRIAZOLE;6-CHLORO-5-FLUOROBENZOTRIAZOLE;6-Chloro-5-fluorobenzotriazole 97%;6-Chloro-5-fluorobenzotriazole97%;6-chloro-5-fluoro-1H-benzo[d][1,2,3]triazole |
Density: | 1.642 g/cm3 |
Melting Point: | 214-216 °C |
Boiling Point: | 322.3 °C at 760 mmHg |
Flash Point: | 148.7 °C |
Hazard Symbols: | Xi |
PSA: | 41.57000 |
LogP: | 1.75040 |
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The 6-Chloro-5-fluorobenzotriazole is an organic compound with the formula C6H3ClFN3. The systematic name of this chemical is 5-chloro-6-fluoro-2H-benzotriazole. With the CAS registry number 99803-85-7, it is also named as 1H-1,2,3-benzotriazole, 6-chloro-5-fluoro-.
Physical properties about 6-Chloro-5-fluorobenzotriazole are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 1.41; (4)ACD/BCF (pH 5.5): 26.78; (5)ACD/BCF (pH 7.4): 4.43; (6)ACD/KOC (pH 5.5): 358.88; (7)ACD/KOC (pH 7.4): 59.42; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 30.71 Å2; (11)Index of Refraction: 1.682; (12)Molar Refractivity: 39.59 cm3; (13)Molar Volume: 104.4 cm3; (14)Polarizability: 15.69×10-24cm3; (15)Surface Tension: 69.8 dyne/cm; (16)Density: 1.642 g/cm3; (17)Flash Point: 148.7 °C; (18)Enthalpy of Vaporization: 56.41 kJ/mol; (19)Boiling Point: 322.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000282 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2nnnc2cc1Cl
(2)InChI: InChI=1/C6H3ClFN3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
(3)InChIKey: BGHCUTSZEKZIEP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H3ClFN3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
(5)Std. InChIKey: BGHCUTSZEKZIEP-UHFFFAOYSA-N