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13096-96-3

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Basic Information
CAS No.: 13096-96-3
Name: 4-CHLORO (1H)INDAZOLE
Article Data: 20
Molecular Structure:
Molecular Structure of 13096-96-3 (4-CHLORO (1H)INDAZOLE)
Formula: C7H5ClN2
Molecular Weight: 152.583
Synonyms: 4-Chloroindazole;NSC 694315;
Density: 1.425 g/cm3
Melting Point: 155-157 °C
Boiling Point: 309.5 °C at 760 mmHg
Flash Point: 169.9 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety: 45-26
PSA: 28.68000
LogP: 2.21630
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Chemistry

IUPAC Name: 4-Chloro-1H-indazole
Molecular Formula: C7H5ClN2
Molecular Weight: 152.58 g/mol
Canonical SMILES: c12c([nH]nc1)cccc2Cl
InChI: InChI=1/C7H5ClN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
Mol File: 13096-96-3.mol
Product Categories: Blocks; IndolesOxindoles; Halides; Fused Ring Systems
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Tautomer Count: 2
Exact Mass: 152.014126
MonoIsotopic Mass: 152.014126
Topological Polar Surface Area: 28.7
Heavy Atom Count: 10
Complexity: 129
Index of Refraction: 1.703
Molar Refractivity: 41.51 cm3
Molar Volume: 107 cm3
Polarizability: 16.45×10-24cm3
Surface Tension: 62.2 dyne/cm
Density: 1.425 g/cm3
Flash Point: 169.9 °C
Enthalpy of Vaporization: 52.83 kJ/mol
Boiling Point: 309.5 °C at 760 mmHg
Melting Point: 155-157 °C
Vapour Pressure of 4-Chloro-1H-indazole (CAS NO.13096-96-3): 0.00116 mmHg at 25 °C

Safety Profile

Hazard Codes: IrritantXi
Hazard Note of 4-Chloro-1H-indazole (CAS NO.13096-96-3): Irritant

Specification

  4-Chloro-1H-indazole (CAS NO.13096-96-3), its Synonyms are 4-Chloro (1H)indazole ; 4-Chloro-1H-indazole, 95+% ; 4-Chloroindazole .