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1H-Benzotriazole,1-chloro-

  • Name 1H-Benzotriazole,1-chloro-
  • EINECS244-171-1
  • CAS No. 21050-95-3
  • Density1.51 g/cm3
  • PSA30.71000
  • LogP1.43320
  • SolubilityN/A
  • Melting Point104-106?C
  • FormulaC6H4ClN3
  • Boiling Point282 °C at 760 mmHg
  • Molecular Weight153.571
  • Flash Point124.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26
  • Risk Codes22-36/37/38
  • Molecular Structure
    Molecular Structure of 21050-95-3 (1-CHLOROBENZOTRIAZOLE)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data11

1H-Benzotriazole,1-chloro- Specification

The CAS register number of 1H-Benzotriazole,1-chloro- is 21050-95-3. It also can be called as 1-Chloro-1,2,3-benzotriazole and the systematic name about this chemical is 1-chlorobenzotriazole. The molecular formula about this chemical is C6H4ClN3 and the molecular weight is 153.56906.

Physical properties about 1H-Benzotriazole,1-chloro- are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.37; (5)ACD/BCF (pH 7.4): 31.37; (6)ACD/KOC (pH 5.5): 410.01; (7)ACD/KOC (pH 7.4): 410.01; (8)#H bond acceptors: 3; (9)Polar Surface Area: 30.71 Å2; (10)Index of Refraction: 1.712; (11)Molar Refractivity: 39.75 cm3; (12)Molar Volume: 101.4 cm3; (13)Polarizability: 15.76x10-24cm3; (14)Surface Tension: 57.1 dyne/cm; (15)Density: 1.51 g/cm3; (16)Flash Point: 124.3 °C; (17)Enthalpy of Vaporization: 52.08 kJ/mol; (18)Boiling Point: 282 °C at 760 mmHg; (19)Vapour Pressure: 0.00345 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cln2nnc1ccccc12
(2)InChI: InChI=1/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H
(3)InChIKey: INOGLHRUEYDAHX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H
(5)Std. InChIKey: INOGLHRUEYDAHX-UHFFFAOYSA-N

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