-
Name
N1-METHYL-4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
- EINECS
- CAS No. 35203-49-7
- Article Data11
- CAS DataBase
- Density 1.314 g/cm3
- Solubility
- Melting Point 53 °C
- Formula C8H9F3N2
- Boiling Point 249.7 °C at 760mmHg
- Molecular Weight 190.168
- Flash Point 104.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Toluene-3,4-diamine,a,a,a-trifluoro-N4-methyl-;
- PSA 38.05000
- LogP 2.98350
1,2-Benzenediamine,N1-methyl-4-(trifluoromethyl)- Specification
This chemical is called 1,2-Benzenediamine,N1-methyl-4-(trifluoromethyl)-, and its systematic name is N1-methyl-4-(trifluoromethyl)benzene-1,2-diamine. With the molecular formula of C8H9F3N2, its molecular weight is 190.17. The CAS registry number of this chemical is 35203-49-7.
Other characteristics of the 1,2-Benzenediamine,N1-methyl-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 ?2; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 45.07 cm3; (9)Molar Volume: 144.6 cm3; (10)Polarizability: 17.87×10-24cm3; (11)Surface Tension: 33.9 dyne/cm; (12)Density: 1.314 g/cm3; (13)Flash Point: 104.8 °C; (14)Enthalpy of Vaporization: 48.69 kJ/mol; (15)Boiling Point: 249.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0226 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccc(NC)c(N)c1
2.InChI: InChI=1/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3
3.InChIKey: KWYSQBACVABOFL-UHFFFAOYAK
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