Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Amino-3-chlorobenzotrifluoride

Related Products

Hot Products

Name

4-Amino-3-chlorobenzotrifluoride

EINECS 254-674-8
CAS No. 39885-50-2 Density 1.425 g/cm3
PSA 26.02000 LogP 3.52220
Solubility N/A Melting Point N/A
Formula C7H5ClF3N Boiling Point 198.1 °C at 760 mmHg
Molecular Weight 195.572 Flash Point 73.6 °C
Transport Information UN 2810 Appearance clear light yellow to yellow liquid after melting
Safety 26-36/37/39-23 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 39885-50-2 (4-Amino-3-chlorobenzotrifluoride) Hazard Symbols HarmfulXn
Synonyms

2-Chloro-4-trifluoromethylaniline;2-Chloro-4-trifluoromethylbenzenamine;2-Chloro-4-trifluoromethylphenylamine;3-Chloro-4-aminobenzotrifluoride;2-chloro-4-(trifluoromethyl)aniline;2-Chloro-4-(trifluoromethyl)aniline;Benzenamine, 2-chloro-4-(trifluoromethyl)-;

Article Data 12

4-Amino-3-chlorobenzotrifluoride Specification

The 2-Chloro-4-(trifluoromethyl)aniline, with the CAS registry number 39885-50-2 and EINECS registry number 254-674-8, has the systematic name of 2-chloro-4-(trifluoromethyl)aniline. It is a kind of clear light yellow to yellow liquid after melting, and belongs to the product categories of Aromatic Halides (substituted) and Fluoro chemicals. The molecular formula of this chemical is C7H5ClF3N.

The physical properties of 2-Chloro-4-(trifluoromethyl)aniline are as following: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 137.86; (6)ACD/BCF (pH 7.4): 137.86; (7)ACD/KOC (pH 5.5): 1183.09 ; (8)ACD/KOC (pH 7.4): 1183.11; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 40.36 cm3; (15)Molar Volume: 137.1 cm3; (16)Polarizability: 16×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.425 g/cm3; (19)Flash Point: 73.6 °C; (20)Enthalpy of Vaporization: 43.43 kJ/mol; (21)Boiling Point: 198.1 °C at 760 mmHg; (22)Vapour Pressure: 0.367 mmHg at 25°C.

Uses of 2-Chloro-4-(trifluoromethyl)aniline: It can react with 6-chloro-3-methyl-1H-pyrimidine-2,4-dione to produce 6-(2-chloro-4-trifluoromethyl-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione. This reaction will need reagents N,N-diethylaniline and acetic acid. The reaction time is 25 minutes with temperature of 190°C, and the yield is about 68%.

2-Chloro-4-(trifluoromethyl)aniline can react with 6-chloro-3-methyl-1H-pyrimidine-2,4-dione to produce 6-(2-chloro-4-trifluoromethyl-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1N)C(F)(F)F
(2)InChI: InChI=1/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
(3)InChIKey: MBBUTABXEITVNY-UHFFFAOYAP

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 39885-50-2