ChemicalBook--->CAS DataBase List--->445-13-6

445-13-6

445-13-6 Structure

445-13-6 Structure
IdentificationMore
[Name]

4-AMINO-2-CHLOROBENZOTRIFLUORIDE
[CAS]

445-13-6
[Synonyms]

3-CHLORO-4-(TRIFLUOROMETHYL)ANILINE
4-AMINO-2-CHLOROBENZOTRIFLUORIDE
[EINECS(EC#)]

207-152-9
[Molecular Formula]

C7H5ClF3N
[MDL Number]

MFCD00278479
[Molecular Weight]

195.57
[MOL File]

445-13-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

112-115 °C
[density ]

1.425±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[form ]

liquid
[pka]

1.71±0.10(Predicted)
[color ]

Faintly hazy khaki
[InChI]

InChI=1S/C7H5ClF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
[InChIKey]

KZAMRRANXJVDCD-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(C(F)(F)F)C(Cl)=C1
[CAS DataBase Reference]

445-13-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 .
[RIDADR ]

2810
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

2921420090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Diethyl ether-->N,N-Dimethylformamide-->Petroleum ether-->Sodium nitrite-->Sodium sulfate-->Sodium chloride-->Sodium bicarbonate-->Palladium-->Acetonitrile-->p-Toluenesulfonic acid-->Potassium iodide-->Sodium thiosulfate-->Potassium fluoride-->Cuprous iodide-->2-Chloro-4-nitroaniline-->(Trifluoromethyl)trimethylsilane
[Preparation Products]

2-AMINO-4-CHLOROBENZOTRIFLUORIDE
Hazard InformationBack Directory
[Uses]

3-Chloro-4-trifluoromethylaniline
[Synthesis]

Step A. Preparation of 2-chloro-4-nitro-1-trifluoromethylbenzene

1-bromo-2-chloro-4-nitrobenzene (1.86 g, 7.86 mmol) and CuI (0.225 g, 1.18 mmol) were mixed in anhydrous DMF (50 mL) were mixed and degassed with N2 for 15 min. Methyl fluorosulfon

Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-2-CHLOROBENZOTRIFLUORIDE(445-13-6)1HNMR
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