Related Searches: 4-(Trifluoromethoxy)aniline, 4-(Trifluoromethoxy)phenol, 1-Bromo-4-(trifluoromethoxy)benzene, Boronicacid, B-[4-(trifluoromethoxy)phenyl]-, 4-chloro aniline, View all

4-(Trifluoromethoxy)aniline(CAS No. 461-82-5)

4-(Trifluoromethoxy)aniline C7H6F3NO (cas 461-82-5) Molecular Structure

461-82-5 Structure

Identification and Related Records

【Name】
4-(Trifluoromethoxy)aniline
【Iupac name】
4-(trifluoromethoxy)aniline
【CAS Registry number】
461-82-5
【Synonyms】
4-Trifluoroethoxyaniline
P-aminotrifluoromethoxybenzene
a,a,a-Trifluoro-P-anisidine
4-(Trifluoromethoxy)aminobenzene
4-Amino trifluoromethoxybenzene
4-Trifluoromethoxyaniline
4-aminotrifluoromethoxybenzene
4-(Trifluoro methoxy)aniline
【EINECS(EC#)】
207-317-5
【Molecular Formula】
C7H6F3NO (Products with the same molecular formula)
【Molecular Weight】
177.12
【Inchi】
InChI=1/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
【InChIKey】
XUJFOSLZQITUOI-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1N)OC(F)(F)F
【MOL File】
461-82-5.mol

Chemical and Physical Properties

【Appearance】
light yellow liquid
【Density】
1.31
【Boiling Point】
73-75℃ (10 mmHg)
【Vapour】
2.97mmHg at 25°C
【Refractive Index】
1.462-1.464
【Flash Point】
80℃
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29222900
【Storage temp】
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
【Computed Properties】
Molecular Weight:177.12385 [g/mol]
Molecular Formula:C7H6F3NO
XLogP3:2.2
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:1
Exact Mass:177.040148
MonoIsotopic Mass:177.040148
Topological Polar Surface Area:35.2
Heavy Atom Count:12
Formal Charge:0
Complexity:140
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【HazardClass】
IRRITANT, TOXIC
【Hazard Note】

Toxic

【Safety】

Hazard Codes:?ToxicT,IrritantXi,HarmfulXn
Risk Statements: 24/25-33-38-41-36/37/38-20/21/22?
R24:Toxic in contact with skin.?
R25 :Toxic if swallowed.?
R33:Danger of cumulative effects.?
R38:Irritating to skin.?
R41:Risk of serious damage to the eyes.?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36:Wear suitable protective clothing.
RIDADR: UN 2941 6.1/PG 3
WGK Germany: 2
Hazard Note: Toxic
HazardClass: IRRITANT, TOXIC
HS Code: 29222900?

【Transport】
UN 2941
【Specification】

? 4-(Trifluoromethoxy)aniline ,?its cas register number is 461-82-5. It also can be called?4-Trifluoroethoxyaniline ; 4-trifluoromethoxyaniune ; p-Trifluoromethoxyaniline .?4-(Trifluoromethoxy)aniline (CAS NO.461-82-5) is a?clear yellow liquid.

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