ChemicalBook--->CAS DataBase List--->455-14-1

455-14-1

455-14-1 Structure

455-14-1 Structure
IdentificationMore
[Name]

4-Aminobenzotrifluoride
[CAS]

455-14-1
[Synonyms]

1-AMINO-4-(TRIFLUOROMETHYL)BENZENE
4-AMINO-A,A,A-TRIFLUOROTOLUENE
4-AMINOBENZOTRIFLUORIDE
4-(TRIFLUOROMETHYL)ANILINE
A,A,A-TRIFLUORO-P-TOLUIDINE
ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUIDINE
P-AMINOBENZOTRIFLUORIDE
P-(TRIFLUOROMETHYL)ANILINE
TIMTEC-BB SBB003956
4-(trifluoromethyl)-benzenamin
4-(Trifluoromethyl)benzenamine
4-Amino-alpha,alpha,alpha-benzotrifluoride
4-Aminobenzotrifluororide
4-aminotrifluorotoluene
alpha,alpha,alpha-trifluoro-p-toluidin
aminobenzotrifluoride
Aniline, p-(trifluoromethyl)-
p-Amino-alpha,alpha,alpha-trifluorotoluene
p-Toluidine, alpha,alpha,alpha-trifluoro-
α,α,α-Trifluoro-p-toluidine
[EINECS(EC#)]

207-236-5
[Molecular Formula]

C7H6F3N
[MDL Number]

MFCD00064396
[Molecular Weight]

161.12
[MOL File]

455-14-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Melting point ]

3-8 °C
[Boiling point ]

83 °C12 mm Hg(lit.)
[density ]

1.283 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.483(lit.)
[Fp ]

188 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

2.45(at 25℃)
[color ]

Clear colorless to yellow
[Specific Gravity]

1.283
[Water Solubility ]

<0.1 g/100 mL
[Sensitive ]

Air Sensitive
[BRN ]

1564853
[InChI]

1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
[InChIKey]

ODGIMMLDVSWADK-UHFFFAOYSA-N
[SMILES]

Nc1ccc(cc1)C(F)(F)F
[LogP]

1.95 at 20℃
[CAS DataBase Reference]

455-14-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 4-(trifluoromethyl)-(455-14-1)
[Storage Precautions]

Moisture sensitive;Store under nitrogen
[EPA Substance Registry System]

455-14-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301-H318-H410
[Precautionary statements ]

P264-P270-P273-P280-P301+P310-P305+P351+P338
[Hazard Codes ]

T,N,Xi,Xn
[Risk Statements ]

R25:Toxic if swallowed.
R36:Irritating to the eyes.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
R33:Danger of cumulative effects.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

XU9260000
[Hazard Note ]

Toxic/Irritant
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29214300
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen fluoride-->4-Chlorobenzaldehyde-->Phosgene-->Sodium bromide-->4-Nitrotoluene-->Stannous chloride-->p-Toluidine-->Benzotrichloride-->Phenyl isocyanate-->4-Chlorobenzotrifluoride-->FORMANILIDE-->SODIUM HYPOBROMITE-->nitrotoluene-->1-TrifluoroMethyl-1,2-benziodoxol-3(1H)-one-->2-Aminobenzotrifluoride-->6-Ethyl-o-toluidine
[Preparation Products]

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride-->4-Trifluoromethyl-N-methylaniline 97-->Leflunomide-->Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate-->Ethyl 4-chloro-6-(trifluoromethyl)-3-quinolinecarboxylate-->2,6-Bis(trifluoromethyl)-4-hydroxyquinoline-->4-Amino-3,5-dichlorobenzotrifluoride-->1,4-Bis(trifluoromethyl)-benzene-->trans-4-(Trifluoromethyl)cyclohexanamine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(Trifluoromethyl)aniline(455-14-1).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow liquid
[Uses]

4-Substituted aniline derivatives exert special hematotoxicity on the red blood cells and induce leukocytosis.
[Definition]

ChEBI: A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 54, p. 2873, 1989 DOI: 10.1021/jo00273a020
[General Description]

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Aminobenzotrifluoride(455-14-1)MS
4-Aminobenzotrifluoride(455-14-1)1HNMR
4-Aminobenzotrifluoride(455-14-1)IR1
4-Aminobenzotrifluoride(455-14-1)IR2
4-Aminobenzotrifluoride(455-14-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Aminobenzotrifluoride, 99%(455-14-1)
[Alfa Aesar]

4-(Trifluoromethyl)aniline, 98+%(455-14-1)
[Sigma Aldrich]

455-14-1(sigmaaldrich)
[TCI AMERICA]

4-Aminobenzotrifluoride,>98.0%(GC)(455-14-1)
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