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1H-Indazole,3-chloro-5-nitro-

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Name

1H-Indazole,3-chloro-5-nitro-

EINECS 225-380-7
CAS No. 4812-45-7 Density 1.661g/cm3
PSA 74.50000 LogP 2.64770
Solubility N/A Melting Point 218-220 °C
Formula C7H4ClN3O2 Boiling Point 234.7 °C at 760 mmHg
Molecular Weight 197.581 Flash Point 95.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4812-45-7 (3-CHLORO-5-NITRO-1H-INDAZOLE) Hazard Symbols IrritantXi
Synonyms

3-Chloro-5-nitro-1H-indazole;3-Chloro-5-nitroindazole;3-Chloro-5-nitro-1H-indazole ,97%;

Article Data 14

1H-Indazole,3-chloro-5-nitro- Specification

The CAS register number of 1H-Indazole,3-chloro-5-nitro- is 4812-45-7. It also can be called as 3-Chloro-5-nitroindazole and the IUPAC name about this chemical is 3-chloro-5-nitro-2H-indazole. The molecular formula about this chemical is C7H4ClN3O2 and the molecular weight is 197.58. This chemical is irritant. It may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Indazole,3-chloro-5-nitro- are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.99; (5)ACD/BCF (pH 7.4): 19.88; (6)ACD/KOC (pH 5.5): 297.01; (7)ACD/KOC (pH 7.4): 295.35; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.64 Å2; (12)Index of Refraction: 1.742; (13)Molar Refractivity: 48.06 cm3; (14)Molar Volume: 118.8 cm3; (15)Polarizability: 19.05x10-24cm3; (16)Surface Tension: 80.5 dyne/cm; (17)Density: 1.661 g/cm3; (18)Flash Point: 95.7 °C; (19)Enthalpy of Vaporization: 47.14 kJ/mol; (20)Boiling Point: 234.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0522 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(nnc1Cl)cc2
(2)InChI: InChI=1/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
(3)InChIKey: UOWPRWCAMGTPHI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
(5)Std. InChIKey: UOWPRWCAMGTPHI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1550mg/kg (1550mg/kg)   Annales Pharmaceutiques Francaises. Vol. 42, Pg. 379, 1984.

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