Phthalazine, 5-nitro- supplier

Name
5-NITROPHTHALAZINE
EINECS
CAS No. 89898-86-2
Article Data10
CAS DataBase
Density 1.437g/cm³
Solubility
Melting Point
Formula C₈H₅N₃O₂
Boiling Point 421.525 °C at 760 mmHg
Molecular Weight 175.147
Flash Point 208.731 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Nitrophthalazine;
PSA 71.60000
LogP 2.06120

Phthalazine, 5-nitro- Specification

The Phthalazine, 5-nitro-, with CAS registry number 89898-86-2, has the systematic name of 5-nitrophthalazine. And the chemical formula of this chemical is C₈H₅N₃O₂. Its molecular weight is 175.14.

Physical properties of Phthalazine, 5-nitro-: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 30; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 46.823 cm³; (15)Molar Volume: 121.838 cm³; (16)Polarizability: 18.562×10^-24cm³; (17)Surface Tension: 71.981 dyne/cm; (18)Enthalpy of Vaporization: 64.938 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c2c(ccc1)cnnc2
(2)InChI: InChI=1/C8H5N3O2/c12-11(13)8-3-1-2-6-4-9-10-5-7(6)8/h1-5H
(3)InChIKey: NWASGBYNFZVASN-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H5N3O2/c12-11(13)8-3-1-2-6-4-9-10-5-7(6)8/h1-5H
(5)Std. InChIKey: NWASGBYNFZVASN-UHFFFAOYSA-N

Product Name

5-NITROPHTHALAZINE

Phthalazine, 5-nitro- Specification

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