Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Chloro-4-(trifluoromethoxy)aniline |
EINECS | N/A |
CAS No. | 64628-73-5 | Density | 1.468g/cm3 |
PSA | 35.25000 | LogP | 3.40200 |
Solubility | Slightly soluble in water. | Melting Point |
29-30°C |
Formula | C7H5ClF3NO | Boiling Point | 224.4 °C at 760 mmHg |
Molecular Weight | 211.571 | Flash Point | 89.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | T; Xi | |
Synonyms |
(3-Chloro-4-trifluoromethoxyphenyl)amine;3-Chloro-4-(trifluoromethoxy)aniline; |
Article Data | 2 |
The Benzenamine,3-chloro-4-(trifluoromethoxy)-, with CAS registry number 64628-73-5, belongs to the following product category: Anilines, Aromatic Amines and Nitro Compounds. It has the systematic name of 3-chloro-4-(trifluoromethoxy)aniline. And the chemical formula of this chemical is C7H5ClF3NO.
Physical properties of Benzenamine,3-chloro-4-(trifluoromethoxy)-: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.36; (6)ACD/BCF (pH 7.4): 56.44; (7)ACD/KOC (pH 5.5): 623.4; (8)ACD/KOC (pH 7.4): 624.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 42.51 cm3; (15)Molar Volume: 144 cm3; (16)Polarizability: 16.85×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Enthalpy of Vaporization: 46.09 kJ/mol; (19)Vapour Pressure: 0.0913 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,3-chloro-4-(trifluoromethoxy)- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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(ccc1OC(F)(F)F)N
(2)InChI: InChI=1/C7H5ClF3NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
(3)InChIKey: ZPKUUNGPBSRPRM-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5ClF3NO/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2
(5)Std. InChIKey: ZPKUUNGPBSRPRM-UHFFFAOYSA-N