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831-75-4

Basic Information
CAS No.: 831-75-4
Name: 3-(1,1,2,2-TETRAFLUOROETHOXY)ANILINE
Article Data: 6
Molecular Structure:
Molecular Structure of 831-75-4 (3-(1,1,2,2-TETRAFLUOROETHOXY)ANILINE)
Formula: C8H7F4NO
Molecular Weight: 209.143
Synonyms: 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine;m-(1,1,2,2-Tetrafluoroethoxy)aniline;3-(1,1,2,2-Tetrafluoroethoxy)aniline;m-Phenetidine,a,a,b,b-tetrafluoro- (7CI,8CI);
EINECS: 212-610-6
Density: 1.354 g/cm3
Boiling Point: 236 °C at 760 mmHg
Flash Point: 96.5 °C
Hazard Symbols: IrritantXi,ToxicT
Risk Codes: 36/37/38
Safety: 26-36
PSA: 35.25000
LogP: 3.08670
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  • 3-(1,1,2,2-tetrafluoroethoxy)aniline  CAS NO.831-75-4

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Specification

The Benzenamine,3-(1,1,2,2-tetrafluoroethoxy)-, with the CAS registry number 831-75-4, is also known as 3-(1,1,2,2-Tetrafluoroethoxy)phenylamine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amines; C8; Nitrogen Compounds. Its EINECS registry number is 212-610-6. This chemical's molecular formula is C8H7F4NO and molecular weight is 209.14. What's more, both its IUPAC name and systematic name are the same which is called 3-(1,1,2,2-Tetrafluoroethoxy)aniline.

Physical properties about Benzenamine,3-(1,1,2,2-tetrafluoroethoxy)- are: (1) ACD/LogP: 2.10; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.09; (4) ACD/LogD (pH 7.4): 2.1; (5) ACD/BCF (pH 5.5): 22.77; (6) ACD/BCF (pH 7.4): 23.11; (7) ACD/KOC (pH 5.5): 324.57; (8) ACD/KOC (pH 7.4): 329.42; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 12.47 Å2; (13) Index of Refraction: 1.461; (14) Molar Refractivity: 42.37 cm3; (15) Molar Volume: 154.4 cm3; (16) Surface Tension: 29.5 dyne/cm; (17) Density: 1.354 g/cm3; (18)Flash Point: 96.5 °C; (19) Enthalpy of Vaporization: 47.28 kJ/mol; (20) Boiling Point: 236 °C at 760 mmHg; (21) Vapour Pressure: 0.0485 mmHg at 25 °C.

Uses of Benzenamine,3-(1,1,2,2-tetrafluoroethoxy)-: it is used to produce other chemicals. For example, it is used to produce C14H10Cl2F4NOP;



The reaction occurs with reagent 1,2-Dichloro-ethane and other condition of heating. The yield is 62 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes and at low levels can cause damage to health. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
SMILES: FC(F)(Oc1cccc(c1)N)C(F)F
(2) InChI: InChI=1/C8H7F4NO/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7H,13H2
(3) InChIKey: MWDPEBMCVXNSPL-UHFFFAOYAV