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| CAS No.: | 367-65-7 |
|---|---|
| Name: | 3,5-bis(trifluoromethyl)-1,2-diaminobenzene |
| Molecular Structure: | |
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| Formula: | C8H6F6N2 |
| Molecular Weight: | 244.139 |
| Synonyms: | o-Phenylenediamine,3,5-bis(trifluoromethyl)- (6CI,8CI);3,5-Bis(trifluoromethyl)-1,2-benzenediamine;3,5-Bis(trifluoromethyl)-1,2-diaminobenzene;3,5-Bis(trifluoromethyl)-1,2-phenylenediamine;3,5-Bis(trifluoromethyl)-o-phenylenediamine; |
| EINECS: | -0 |
| Density: | 1.516 g/cm3 |
| Melting Point: | 42-44 °C |
| Boiling Point: | 228.2 °C at 760mmHg |
| Flash Point: | 98.5 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 T
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 2811 |
| PSA: | 52.04000 |
| LogP: | 4.05100 |
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Specification
This chemical is called 1,2-Benzenediamine,3,5-bis(trifluoromethyl)-, and its systematic name is 3,5-bis(trifluoromethyl)benzene-1,2-diamine. With the molecular formula of C8H6F6N2, its molecular weight is 244.14. The CAS registry number of this chemical is 367-65-7.
Other characteristics of the 1,2-Benzenediamine,3,5-bis(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 1793.89; (6)ACD/BCF (pH 7.4): 1794.18; (7)ACD/KOC (pH 5.5): 7424.12; (8)ACD/KOC (pH 7.4): 7425.32; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 44.68 cm3; (15)Molar Volume: 161 cm3; (16)Polarizability: 17.71×10-24cm3; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 1.516 g/cm3; (19)Flash Point: 98.5 °C; (20)Enthalpy of Vaporization: 46.48 kJ/mol; (21)Boiling Point: 228.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0743 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(N)c(N)c(c1)C(F)(F)F
2.InChI: InChI=1/C8H6F6N2/c9-7(10,11)3-1-4(8(12,13)14)6(16)5(15)2-3/h1-2H,15-16H2
3.InChIKey: BRLIJPMFMGTIAW-UHFFFAOYAE