1H-Tetrazole,1-methyl-5-(4-nitrophenyl)- supplier

Name
1-methyl-5-(4-nitrophenyl)-1H-Tetrazole
EINECS
CAS No. 20743-51-5
Article Data11
CAS DataBase
Density 1.533 g/cm³
Solubility
Melting Point 123-126 °C
Formula C₈H₇N₅O₂
Boiling Point 410.01 °C at 760 mmHg
Molecular Weight 205.176
Flash Point 201.767 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-5-(4-nitrophenyl)-1H-tetrazole;
PSA 89.42000
LogP 1.30850

1H-Tetrazole,1-methyl-5-(4-nitrophenyl)- Specification

The CAS registry number of 1H-Tetrazole,1-methyl-5-(4-nitrophenyl)- is 20743-51-5. This chemical's molecular formula is C₈H₇N₅O₂and molecular weight is 205.1735. What's more, its systematic name is called 1-Methyl-5-(4-nitrophenyl)-1H-tetrazole.

Physical properties about 1H-Tetrazole,1-methyl-5-(4-nitrophenyl)- are: (1)ACD/LogP: 1.51; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 131; (8)ACD/KOC (pH 7.4): 131; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 89.42Å²; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 52.906 cm³; (15)Molar Volume: 133.804 cm³; (16)Polarizability: 20.974×10^-24 cm³; (17)Surface Tension: 68.53 dyne/cm; (18)Density: 1.533 g/cm³; (19)Flash Point: 201.767 °C; (20)Enthalpy of Vaporization: 66.227 kJ/mol; (21)Boiling Point: 410.01 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cn2nnnc2c1ccc(cc1)[N+]([O-])=O
(2) InChI: InChI=1/C8H7N5O2/c1-12-8(9-10-11-12)6-2-4-7(5-3-6)13(14)15/h2-5H,1H3
(3) InChIKey: ANAZYJLZMITTEC-UHFFFAOYAI

Product Name

1-methyl-5-(4-nitrophenyl)-1H-Tetrazole

1H-Tetrazole,1-methyl-5-(4-nitrophenyl)- Specification

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