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CAS No.: | 698-26-0 |
---|---|
Name: | 5-CHLORO (1H)INDAZOLE |
Article Data: | 18 |
Molecular Structure: | |
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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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
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, |
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 .