-
Name
2,4-DIBROMO-6-(TRIFLUOROMETHYL)ANILINE
- EINECS
- CAS No. 71757-14-7
- Article Data2
- CAS DataBase
- Density 2.023 g/cm3
- Solubility
- Melting Point 39-41°C
- Formula C7H4Br2F3N
- Boiling Point 239.1 °C at 760 mmHg
- Molecular Weight 318.919
- Flash Point 98.4 °C
- Transport Information
- Appearance
- Safety 36/37/39-26
- Risk Codes 36/37/38-20/21/22
-
Molecular Structure
-
Hazard Symbols
Xi; 
Xn
- Synonyms 2-Amino-3,5-dibromobenzotrifluoride;2-Trifluoromethyl-4,6-dibromoaniline;2,4-dibromo-6-(trifluoromethyl)aniline;Benzenamine, 2,4-dibromo-6-(trifluoromethyl)-;
- PSA 26.02000
- LogP 4.39380
Benzenamine,2,4-dibromo-6-(trifluoromethyl)- Specification
The Benzenamine,2,4-dibromo-6-(trifluoromethyl)-, with the CAS registry number 71757-14-7, has the systematic name and IUPAC name of 2,4-dibromo-6-(trifluoromethyl)aniline. It belongs to the following product categories: Amines; Blocks; Bromides; FluoroCompounds; Anilines, Aromatic Amines and Nitro Compounds. And the molecular formula of the chemical is C7H4Br2F3N.
The characteristics of Benzenamine,2,4-dibromo-6-(trifluoromethyl)- are as followings: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 50.84 cm3; (9)Molar Volume: 157.5 cm3; (10)Polarizability: 20.15×10-24cm3; (11)Surface Tension: 38 dyne/cm; (12)Density: 2.023 g/cm3; (13)Flash Point: 98.4 °C; (14)Enthalpy of Vaporization: 47.6 kJ/mol; (15)Boiling Point: 239.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0408 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to 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: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(Br)cc(c1N)C(F)(F)F
(2)InChI: InChI=1/C7H4Br2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2
(3)InChIKey: ZYBKXMTWWFTYKN-UHFFFAOYAM
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