| Identification | More | [Name]
4-Amino-3-chlorobenzotrifluoride | [CAS]
39885-50-2 | [Synonyms]
2-CHLORO-4-(TRIFLUOROMETHYL)ANILINE
3-CHLORO-4-AMINOBENZOTRIFLUORIDE
4-AMINO-3-CHLOROBENZOTRIFLUORIDE
4-AMINO-5-CHLORO-BENZOTRIFLUORIDE
BUTTPARK 29\06-52
TIMTEC-BB SBB003594
2-CHLORO-4-(TRIFLUOROMETHYL)ANILINE 97%
4-Amino-3-chlorobenzotrifluoride, 98% (2-Chloro-4-trifluoromethylaniline)
3-Amino-4-Chlorotrifluorotolue
4-Amino-3-chlorobenzotrifluoride 97%
4-Amino-3-chlorobenzotrifluoride97%
Benzenamine, 2-chloro-4-(trifluoromethyl)- | [EINECS(EC#)]
254-674-8 | [Molecular Formula]
C7H5ClF3N | [MDL Number]
MFCD00042563 | [Molecular Weight]
195.57 | [MOL File]
39885-50-2.mol |
| Chemical Properties | Back Directory | [Appearance]
clear light yellow to yellow liquid after melting | [Boiling point ]
214-218 °C(lit.)
| [density ]
1.4160 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5030(lit.)
| [Fp ]
218 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
0.82±0.10(Predicted) | [color ]
Colorless to Light yellow | [BRN ]
4179703 | [InChI]
InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2 | [InChIKey]
MBBUTABXEITVNY-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(C(F)(F)F)C=C1Cl | [CAS DataBase Reference]
39885-50-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
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 ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
UN2810 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29039990 |
| Hazard Information | Back Directory | [Chemical Properties]
clear light yellow to yellow liquid after melting | [Definition]
ChEBI: 2-Chloro-4-(trifluoromethyl)aniline is a member of (trifluoromethyl)benzenes. | [Synthesis]
The general procedure for the synthesis of 3-chloro-4-aminobenzotrifluoride and 3-amino-4-chlorobenzotrifluoride from 3,4-dichlorobenzotrifluoride was as follows:
1. 1050 mL of N-methylpyrrolidone and 102 g of anhydrous activated potassium fluoride were added to an autoclave followed by 377 g of 3,4-dichlorobenzotrifluoride.
2. 158 g of ammonia was vented from a pressure tank into the reactor at ambient temperature.
3. the reaction mixture was heated to 245-250°C over a period of 2 hours, at which time the reactor pressure reached 30-32 kg/cm2 .
4. continued to add excess ammonia from the pressure tank to maintain reactor pressure of 38-40 kg/cm2 at 245-250°C liquid temperature.
5. maintain the reaction mixture at 245-250°C and 38-40 kg/cm2 pressure for 8 hours.
6. cool the reaction mixture to ambient temperature, vent and recover unreacted ammonia.
7. Filter the reaction mixture and separate the products by fractional distillation. Based on the consumed 3,4-dichlorobenzotrifluoride, 3-chloro-4-aminobenzotrifluoride in 77% yield and 3-amino-4-chlorobenzotrifluoride in 13% yield were obtained. | [References]
[1] Patent: WO2011/107998, 2011, A1. Location in patent: Page/Page column 17
[2] Patent: US2013/30190, 2013, A1. Location in patent: Paragraph 0060 |
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