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461-82-5

Basic Information
CAS No.: 461-82-5
Name: 4-(Trifluoromethoxy)aniline
Molecular Structure:
Molecular Structure of 461-82-5 (4-(Trifluoromethoxy)aniline)
Formula: C7H6F3NO
Molecular Weight: 177.13
Synonyms: AMino TrifluoroMethoxybenzene;4-trifluoromethoxy-aniline;4-TRIFLUORO METHOXYLAMINE;p-Trifluoromethoxyaniline;4-aminophenyl trifluoromethyl ether;4-Trifluoromethoxyaniline;Riluzole Related Compound A;4-amino-trifluoromethoxybenzene;4-Trifluoroethoxyaniline;4-trifluoromethoxyaniune;α,α,α-Trifluoro-p-anisidine;4-(trifluoromethoxy)benzeneamine;
EINECS: 207-317-5
Density: 1.34 g/cm3
Melting Point:
Boiling Point: 192.4 °C at 760 mmHg
Flash Point: 80.6 °C
Solubility:
Appearance: Clear yellow liquid
Hazard Symbols: ToxicT, IrritantXi, HarmfulXn
Risk Codes: 24/25-33-38-41-36/37/38-20/21/22
Safety: 26-36/37/39-45-36
Transport Information: UN 2941 6.1/PG 3
PSA: 35.25000
LogP: 2.74860
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  • Casno:

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  • Casno:

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    4-(Trifluoromethoxy)aniline

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  • Casno:

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    4-(Trifluoromethoxy)anilineCAS NO.: 461-82-5

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Specification

4-(Trifluoromethoxy)aniline, its cas register number is 461-82-5. It also can be called ALPHA,ALPHA,ALPHA-TRIFLUORO-P-ANISIDINE; AKOS B016000; 4-(TRIFLUOROMETHOXY)ANILINE; 4-TRIFLUOROMETHOXY-PHENYLAMINE; TIMTEC-BB SBB001667; 4-Trifluoroethoxyaniline; 4-trifluoromethoxyaniune; p-Trifluoromethoxyaniline. It belongs to the Product Categories of Trifluoroanisole series; Trifluoromethoxybenzene Series; Anilines, Aromatic Amines and Nitro Compounds; Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; Pharmaceutical Intermediate; Building Blocks; C7; Chemical Synthesis; Nitrogen Compounds; Organic Building Blocks. 4-(Trifluoromethoxy)aniline is a clear yellow liquid. It is used to synthesize medicine which containing FLUORINE, and also synthesize pesticide intermediates.
 
Physical properties about 4-(Trifluoromethoxy)aniline are: (1)ACD/LogP: 1.979; (2)ACD/LogD (pH 5.5): 1.97; (3)ACD/LogD (pH 7.4): 1.98; (4)ACD/BCF (pH 5.5): 18.48; (5)ACD/BCF (pH 7.4): 18.80; (6)ACD/KOC (pH 5.5): 279.33; (7)ACD/KOC (pH 7.4): 284.19; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.481 ; (12)Molar Refractivity: 37.624 cm3; (13)Molar Volume: 132.107 cm3; (14)Polarizability: 14.916 10-24cm3; (15)Surface Tension: 31.6709995269775 dyne/cm; (16)Density: 1.341 g/cm3; (17)Flash Point: 80.556 °C; (18)Enthalpy of Vaporization: 42.858 kJ/mol; (19)Boiling Point: 192.383 °C at 760 mmHg; (20)Vapour Pressure: 0.490000009536743 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. Wear suitable protective clothing;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2;
(2)InChIKey=XUJFOSLZQITUOI-UHFFFAOYSA-N;
(3)SmilesNc1ccc(OC(F)(F)F)cc1;