Benzenecarboximidamide, N-hydroxy-3,5-bis(trifluoromethyl)- supplier

Name
3,5-BIS(TRIFLUOROMETHYL)BENZAMIDOXIME
EINECS
CAS No. 72111-09-2
Article Data2
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point 129-132 °C(lit.)
Formula C₉H₆F₆N₂O
Boiling Point 283.8 °C at 760 mmHg
Molecular Weight 272.15
Flash Point 125.4 °C
Transport Information
Appearance solid
Safety 22-36/37/39-45
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms 3,5-BIS(TRIFLUOROMETHYL)BENZAMIDOXIME;3,5-BIS(TRIFLUOROMETHYL)BENZAMIDOXINE;3,5-DI(TRIFLUOROMETHYL)BENZAMIDOXIME;BUTTPARK 33\04-48;N-HYDROXY-3,5-BIS(TRIFLUOROMETHYL)BENZENECARBOXIMIDAMIDE;3,5-Bis(trifluoromethyl)benzamidoxime 97%;3,5-Bis(trifluoromethyl)benzamidoxime97%;N-Hydroxy-3,5-bis(trifluoroMethyl)benziMidaMide
PSA 58.61000
LogP 3.51900

Benzenecarboximidamide, N-hydroxy-3,5-bis(trifluoromethyl)- Specification

This chemical is called Benzenecarboximidamide, N-hydroxy-3,5-bis(trifluoromethyl)-, and its IUPAC name is N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide. With the molecular formula of C₉H₆F₆N₂O, its product categories are Nitrogen Compounds; Organic Building Blocks; Oximes. In addition, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Benzenecarboximidamide, N-hydroxy-3,5-bis(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 281.29; (6)ACD/BCF (pH 7.4): 288.45; (7)ACD/KOC (pH 5.5): 1956.78; (8)ACD/KOC (pH 7.4): 2006.57; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.83 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 47.58 cm³; (15)Molar Volume: 175.9 cm³; (16)Polarizability: 18.86×10^-24cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 1.54 g/cm³; (19)Flash Point: 125.4 °C; (20)Enthalpy of Vaporization: 55.21 kJ/mol; (21)Boiling Point: 283.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00146 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cc(C(=NO)N)cc(c1)C(F)(F)F
2.InChI: InChI=1/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17)
3.InChIKey: GGAPMNUHESBFNK-UHFFFAOYAD

Product Name

3,5-BIS(TRIFLUOROMETHYL)BENZAMIDOXIME

Benzenecarboximidamide, N-hydroxy-3,5-bis(trifluoromethyl)- Specification

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