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CAS No.: | 346-88-3 |
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Name: | 3,3'-BIS(TRIFLUOROMETHYL)BENZIDINE |
Molecular Structure: | |
Formula: | C14H10F6N2 |
Molecular Weight: | 320.237 |
Synonyms: | 3,3'-Bis(trifluoromethyl)-4,4'-diaminobiphenyl; |
Density: | 1.609 g/cm3 |
Melting Point: | 180-181 °C |
Boiling Point: | 364.2 °C at 760 mmHg |
Flash Point: | 165.5 °C |
Hazard Symbols: | T,Xi |
Risk Codes: | 22-45-50/53 |
Safety: | 22-36/37/39-45 |
Transport Information: | UN 2811 |
PSA: | 52.04000 |
LogP: | 5.71800 |
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This chemical is called [1,1'-Biphenyl]-4,4'-diamine, 3,3'-bis(trifluoromethyl)-, and its systematic name is 3,3'-bis(trifluoromethyl)biphenyl-4,4'-diamine. With the molecular formula of C14H10F6N2, its molecular weight is 320.23. The CAS registry number of this chemical is 346-88-3.
Other characteristics of the [1,1'-Biphenyl]-4,4'-diamine, 3,3'-bis(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 8580.35; (6)ACD/BCF (pH 7.4): 8581.85; (7)ACD/KOC (pH 5.5): 22759.96; (8)ACD/KOC (pH 7.4): 22763.94; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 69.27 cm3; (15)Molar Volume: 226.2 cm3; (16)Polarizability: 27.46×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.415 g/cm3; (19)Flash Point: 165.5 °C; (20)Enthalpy of Vaporization: 61.04 kJ/mol; (21)Boiling Point: 364.2 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It may cause cancer. Do not breathe dust. Wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cc(ccc1N)c2ccc(N)c(c2)C(F)(F)F
2.InChI: InChI=1/C14H10F6N2/c15-13(16,17)9-5-7(1-3-11(9)21)8-2-4-12(22)10(6-8)14(18,19)20/h1-6H,21-22H2
3.InChIKey: PJWQLRKRVISYPL-UHFFFAOYAH