6-Chloro-5-fluorobenzotriazole supplier

Name
6-Chloro-5-fluorobenzotriazole
EINECS
CAS No. 99803-85-7
Density 1.642 g/cm³
Solubility
Melting Point 214-216 °C
Formula C₆H₃ClFN₃
Boiling Point 322.3 °C at 760 mmHg
Molecular Weight 171.56
Flash Point 148.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
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
PSA 41.57000
LogP 1.75040

6-Chloro-5-fluorobenzotriazole Specification

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

Product Name

6-Chloro-5-fluorobenzotriazole

6-Chloro-5-fluorobenzotriazole Specification

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