2(1H)-Quinoxalinone,3-(trifluoromethyl)- supplier

Name
2-HYDROXY-3-(TRIFLUOROMETHYL)QUINOXALIN
EINECS
CAS No. 58457-64-0
Article Data21
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₉H₅F₃N₂O
Boiling Point
Molecular Weight 214.147
Flash Point
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 3-(Trifluoromethyl)-2-quinoxalinol;3-(Trifluoromethyl)quinoxalin-2(1H)-one;
PSA 46.01000
LogP 2.35420

2(1H)-Quinoxalinone,3-(trifluoromethyl)- Specification

This chemical is called 2(1H)-Quinoxalinone,3-(trifluoromethyl)-, and its systematic name is 3-(trifluoromethyl)quinoxalin-2(1H)-one. With the molecular formula of C₉H₅F₃N₂O, its molecular weight is 214.14. The CAS registry number of this chemical is 58457-64-0.

Other characteristics of the 2(1H)-Quinoxalinone,3-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 29.32; (6)ACD/BCF (pH 7.4): 20.46; (7)ACD/KOC (pH 5.5): 390.06; (8)ACD/KOC (pH 7.4): 272.2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 46.02 cm³; (15)Molar Volume: 141.2 cm³; (16)Polarizability: 18.24×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.51 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)C\2=N\c1ccccc1NC/2=O
2.InChI: InChI=1/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
3.InChIKey: NOGLKXWLUDJZDQ-UHFFFAOYAX

Product Name

2-HYDROXY-3-(TRIFLUOROMETHYL)QUINOXALIN

2(1H)-Quinoxalinone,3-(trifluoromethyl)- Specification

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