-
Name
1-Tritylpyrazole
- EINECS
- CAS No. 95163-43-2
- Density 1.058 g/cm3
- Solubility
- Melting Point 202-204 °C
- Formula C22H18N2
- Boiling Point 479.294 °C at 760 mmHg
- Molecular Weight 310.39
- Flash Point 243.668 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pyrazole,1-trityl- (7CI);CDD 3502;1-Tritylpyrazole;
- PSA 17.82000
- LogP 4.72330
1-Tritylpyrazole Specification
The 1-Tritylpyrazole with the CAS number 95163-43-2 is also called 1H-Pyrazole,1-(triphenylmethyl)-. The systematic name is 1-trityl-1H-pyrazole. Its molecular formula is C22H18N2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 4064; (6)ACD/BCF (pH 7.4): 4064; (7)ACD/KOC (pH 5.5): 13332; (8)ACD/KOC (pH 7.4): 13332; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.82Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 101.285 cm3; (15)Molar Volume: 293.502 cm3; (16)Polarizability: 40.152×10-24cm3; (17)Surface Tension: 43.405 dyne/cm; (18)Enthalpy of Vaporization: 71.522 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1C(c2ccccc2)(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C22H18N2/c1-4-11-19(12-5-1)22(24-18-10-17-23-24,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H
(3)InChIKey: DZMNGSPDNIVJMT-UHFFFAOYAO
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