| Identification | More | [Name]
2-Amino-5-chlorobenzotrifluoride | [CAS]
445-03-4 | [Synonyms]
2-AMINO-5-CHLOROBENZOTRIFLUORIDE
2-AMINO-5-CHLORO-TRIFLUOROTOLUENE
2-TRIFLUOROMETHYL-4-CHLORO-ANILINE
4-CHLORO-2-TRIFLUOROMETHYLANILINE
4-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUIDINE
5-CHLORO-2-AMINOTRIFLUOROMETHYL BENZENE
5-CHLORO-2-AMINO TRIFLUORO TOLUENE
AKOS BBS-00003624
LABOTEST-BB LT02085311
TIMTEC-BB SBB000345
4-chloro-2-(trifluoromethyl)-benzenamin
5-Chloro-2-aminobenzotrifluoride
Aniline,4-chloro-2-trifluoromethyl-
Benzenamine,4-chloro-2-(trifluoromethyl)-
C.I. 37055
C.I. Azoic Diazo Component 17
Diazo Fast Scarlet VD
Fast Scarlet Salt VD
Fast Scarlet VD Salt
o-Toluidine, 4-chloro-alpha,alpha,alpha-trifluoro- | [EINECS(EC#)]
207-151-3 | [Molecular Formula]
C7H5ClF3N | [MDL Number]
MFCD00007841 | [Molecular Weight]
195.57 | [MOL File]
445-03-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear yellow liquid | [Melting point ]
8.8 °C | [Boiling point ]
66-67 °C3 mm Hg(lit.) | [density ]
1.386 g/mL at 25 °C(lit.)
| [vapor pressure ]
48.5-1013hPa at 110.5-208.2℃ | [refractive index ]
n20/D 1.507(lit.)
| [Fp ]
203 °F
| [storage temp. ]
0-6°C | [form ]
clear liquid | [pka]
0.83±0.10(Predicted) | [color ]
Colorless to Orange to Green | [Specific Gravity]
1.386 | [PH]
7.4 at 20℃ and 995mg/L | [BRN ]
2366801 | [InChI]
1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2 | [InChIKey]
CVINWVPRKDIGLL-UHFFFAOYSA-N | [SMILES]
Nc1ccc(Cl)cc1C(F)(F)F | [LogP]
2.68 | [CAS DataBase Reference]
445-03-4(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenamine, 4-chloro-2-(trifluoromethyl)-(445-03-4) | [EPA Substance Registry System]
445-03-4(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes.
R22:Harmful 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 .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 2810 | [WGK Germany ]
2
| [Hazard Note ]
Irritant | [TSCA ]
T | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214300 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT RE 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Clear yellow liquid | [Uses]
4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol. | [Preparation]
Preparation?of?the?chromophore : 4-Chloro-2-(trifluoromethyl)benzenamme?and 4-Chloro-1-nitro-2-(trifluoromethyl)benzene? reduction. | [General Description]
Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied. | [Synthesis]
The general procedure for synthesizing 2-amino-5-chlorobenzotrifluoride from 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-one and 4-chloroaniline is as follows: in this embodiment, p-chloroaniline was used as the aromatic amine, and the rest of the reaction and post-processing steps were the same as in Example 28. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one (0.5 mmol, 1.0 eq.), 4-chloroaniline (1.5 mmol, 3.0 eq.), nickel hydroxide (10 μmol), and potassium carbonate (1.5 mmol, 3.0 eq.) were dissolved in DMSO (2 mL), and the reaction was carried out for 2 hr. at 35 °C. After the reaction was completed, the product was isolated and purified according to the post-processing procedure in Example 1. | [References]
[1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0190-0194
[3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771 |
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