Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Thiourea,N-[2-chloro-5-(trifluoromethyl)phenyl]- |
EINECS | N/A |
CAS No. | 21714-35-2 | Density | 1.562 g/cm3 |
PSA | 70.14000 | LogP | 3.78760 |
Solubility | N/A | Melting Point |
140-142 °C |
Formula | C8H6ClF3N2S | Boiling Point | 288.1 °C at 760 mmHg |
Molecular Weight | 254.66 | Flash Point | 128 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-36/37/39 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
N-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea; |
Article Data | 3 |
The Thiourea,N-[2-chloro-5-(trifluoromethyl)phenyl]-, with the CAS registry number of 21714-35-2, is also known as N-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea. Its molecular formula is C8H6ClF3N2S and molecular weight is 254.66. What's more, its systematic name is 1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Thiourea,N-[2-chloro-5-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 62.13; (6)ACD/BCF (pH 7.4): 62.12; (7)ACD/KOC (pH 5.5): 668.75; (8)ACD/KOC (pH 7.4): 668.62; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 56.56 cm3; (15)Molar Volume: 163 cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.562 g/cm3; (18)Flash Point: 128 °C; (19)Enthalpy of Vaporization: 52.73 kJ/mol; (20)Boiling Point: 288.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00239 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1NC(=S)N)C(F)(F)F
(2) InChI: InChI=1/C8H6ClF3N2S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(13)15/h1-3H,(H3,13,14,15)
(3) InChIKey: GCEQZLQDKSFFEF-UHFFFAOYAL