| Identification | More | [Name]
4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine | [CAS]
320-51-4 | [Synonyms]
2-CHLORO-5-AMINEBENZOTRIFLUORIDE
2-CHLORO-5-AMINOBENZOTRIFLUORIDE
4-AMINO-1-CHLORO-2-(TRIFLUOROMETHYL)BENZENE
4-CHLORO-3-(TRIFLUOROMETHYL)ANILINE
4-Chloro-3-(trifluoromethyl)-benzenamine
4-CHLORO-3-TRIFLUOROMETHYL-PHENYLAMINE
4-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE
5-AMINO-2-CHLOROBENZOTRIFLUORIDE
5-AMINO-2-CHLOROTRIFLUOROTOLUENE
LABOTEST-BB LT00077053
TIMTEC-BB SBB003592
3-(Trifluoromethyl)-4-chloroaniline
4-chloro-3-(trifluoromethyl)-benzenamin
6-Chloro-3-aminobenzotrifluoride
Aniline, 4-chloro-3-(trifluoromethyl)-
Benzenamine,4-chloro-3-(trifluoromethyl)-
Benzenamine,4-chloro-3-trifluoromethyl-
m-Toluidine, 4-chloro-alpha,alpha,alpha-trifluoro-
4-Chloro-α,α,α-trifluoro-m-toluidine
5-Amino-2-chlorobenzotrifluoride,97% | [EINECS(EC#)]
206-277-6 | [Molecular Formula]
C7H5ClF3N | [MDL Number]
MFCD00007846 | [Molecular Weight]
195.57 | [MOL File]
320-51-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to pinkish crystalline powder | [Melting point ]
35-37 °C(lit.)
| [Boiling point ]
85 °C (3 mmHg)
| [density ]
1.4070 (estimate) | [vapor pressure ]
13Pa at 25℃ | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder or Low Melting Solid | [pka]
2.74±0.10(Predicted) | [color ]
White to pinkish or slightly orange | [FreezingPoint ]
34.0 to 37.0 ℃ | [BRN ]
641588 | [InChI]
1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2 | [InChIKey]
ASPDJZINBYYZRU-UHFFFAOYSA-N | [SMILES]
Nc1ccc(Cl)c(c1)C(F)(F)F | [LogP]
2.68 at 25℃ | [CAS DataBase Reference]
320-51-4(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenamine, 4-chloro-3-(trifluoromethyl)-(320-51-4) | [EPA Substance Registry System]
320-51-4(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi,T | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN2811 | [WGK Germany ]
2
| [Hazard Note ]
Irritant | [TSCA ]
T | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214300 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to pinkish crystalline powder | [Uses]
5-Amino-2-chlorobenzotrifluoride is a compound useful in organic synthesis. It also performs a radioprotective activity against ionizing radiations. | [Definition]
ChEBI: A monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline. | [Synthesis]
General procedure for the synthesis of 2-chloro-5-aminobenzotrifluoride from 2-chloro-5-nitrobenzotrifluoride: In 1.0 mL of 2 wt% TPGS/H2O solution, 1-chloro-4-nitro-2-(trifluoromethyl)benzene (113 mg, 0.50 mmol), Fe nanoparticles (6 mg) and NaBH4 (28.5 mg, 0.75 mmol) were added. The reaction was carried out at room temperature for 2 hours. Upon completion of the reaction, 91.7 mg (94% yield) of 4-chloro-3-(trifluoromethyl)aniline was obtained as a colorless oil (hexane/ethyl acetate = 80/20). The spectral data of the product were in agreement with those reported in the literature.GC-MS analysis showed m/z: 195 [M]+. | [References]
[1] Green Chemistry, 2018, vol. 20, # 1, p. 130 - 135
[2] Angewandte Chemie - International Edition, 2016, vol. 55, # 31, p. 8979 - 8983
[3] Angew. Chem., 2016, vol. 128, # 31, p. 9125 - 9129,5
[4] Patent: WO2017/106426, 2017, A1. Location in patent: Paragraph 0084; 0088
[5] Patent: CN108191670, 2018, A. Location in patent: Paragraph 0047; 0050; 0053; 0056; 0057-0059; 0062-0068 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4)MS
4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4)1HNMR
4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4)13CNMR
4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4)IR1
4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4)IR2
4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4)Raman
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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