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Basic Information
CAS No.: 698-26-0
Name: 5-CHLORO (1H)INDAZOLE
Molecular Structure:
Molecular Structure of 698-26-0 (5-CHLORO (1H)INDAZOLE)
Formula: C7H5ClN2
Molecular Weight: 152.583
Synonyms: 5-Chloro-1H-indazole;5-Chloroindazole;NSC 78434;
EINECS: 211-812-1
Density: 1.425 g/cm3
Melting Point: 119-120 °C(Solv: water (7732-18-5))
Boiling Point: 309.5 °C at 760 mmHg
Flash Point: 169.9 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 28.68000
LogP: 2.21630
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  • 5-Chloro-1H-indazole

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Chemistry

Molecule structure of 1H-Indazole, 5-chloro- (CAS NO.698-26-0):

IUPAC Name: 5-Chloro-1H-indazole 
Molecular Weight: 152.581 g/mol
Molecular Formula: C7H5ClN2 
Density: 1.425 g/cm3 
Boiling Point: 309.5 °C at 760 mmHg 
Flash Point: 169.9 °C
Index of Refraction: 1.703
Molar Refractivity: 41.51 cm3
Molar Volume: 107 cm3
Polarizability: 16.45×10-24 cm3
Surface Tension: 62.2 dyne/cm 
Enthalpy of Vaporization: 52.83 kJ/mol
Vapour Pressure: 0.00116 mmHg at 25 °C
XLogP3: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 152.014126
MonoIsotopic Mass: 152.014126
Topological Polar Surface Area: 28.7
Heavy Atom Count: 10
Complexity: 129
Canonical SMILES: C1=CC2=C(C=C1Cl)C=NN2
InChI: InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
EINECS of 1H-Indazole, 5-chloro- (CAS NO.698-26-0): 211-812-1

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01333,

Specification

 1H-Indazole, 5-chloro- (CAS NO.698-26-0) is also named as 5-23-06-00175 (Beilstein Handbook Reference) ; 5-Chloroindazole ; BRN 0003260 ; NSC 78434 ; 5-Chloro-1H-indazole .