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5-Amino-2-chlorobenzotrifluoride

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Name

5-Amino-2-chlorobenzotrifluoride

EINECS 206-277-6
CAS No. 320-51-4 Density 1.425 g/cm3
Solubility Melting Point 34-38 °C(lit.)
Formula C7H5ClF3N Boiling Point 242.8 °C at 760 mmHg
Molecular Weight 195.57 Flash Point >110 °C
Transport Information UN 2811 Appearance White to pinkish crystalline powder
Safety 22-24/25-45-36-26 Risk Codes 36/37/38-23/24/25
Molecular Structure Molecular Structure of 320-51-4 (Benzenamine,4-chloro-3-(trifluoromethyl)-) Hazard Symbols IrritantXi, ToxicT
Synonyms

m-Toluidine,4-chloro-a,a,a-trifluoro-(6CI,7CI,8CI);(4-Chloro-3-trifluoromethylphenyl)amine;2-Chloro-5-aminobenzotrifluoride;3-(Trifluoromethyl)-4-chloroaniline;3-Amino-6-chlorobenzotrifluoride;4-Chloro-3-(trifluoromethyl)aniline;4-Chloro-3-(trifluoromethyl)benzenamine;4-Chloro-a,a,a-trifluoro-m-toluidine;NSC 61405;

 

5-Amino-2-chlorobenzotrifluoride Specification

The 5-Amino-2-chlorobenzotrifluoride with CAS registry number of 320-51-4 is also known as 3-(Trifluoromethyl)-4-chloroaniline. The IUPAC name is 4-Chloro-3-(trifluoromethyl)aniline. It belongs to product categories of Amines and Anilines; Aromatic Halides (substituted); Aniline Series. Its EINECS registry number is 206-277-6. In addition, the formula is C7H5ClF3N and the molecular weight is 195.57. Besides, this chemical is a white to pinkish crystalline powder.

Physical properties about 5-Amino-2-chlorobenzotrifluoride are: (1)XLogP3: 3.5; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 4; (4)Exact Mass: 195.006261; (5)MonoIsotopic Mass: 195.006261; (6)Topological Polar Surface Area: 26; (7)Heavy Atom Count: 12; (8)Complexity: 159; (9)Covalently-Bonded Unit Count: 1.

Uses of 5-Amino-2-chlorobenzotrifluoride: it is used as medicine and pesticide intermediate. What's more, it is used to produce 1,3-bis(4-chloro-3-(trifluoromethyl)phenyl)triazene. The reaction occurs with reagent SHNC and solvent H2O at ambient temperature for 25 hours. The yield is about 99%.

5-Amino-2-chlorobenzotrifluoride is used to produce 1,3-bis(4-chloro-3-(trifluoromethyl)phenyl)triazene.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. Avoid contact with skin and eyes and do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Cl
2. InChI: InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
3. InChIKey: ASPDJZINBYYZRU-UHFFFAOYSA-N

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