Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-2-(trifluoromethyl)benzonitrile |
EINECS | N/A |
CAS No. | 320-41-2 | Density | 1.43 g/cm3 |
PSA | 23.79000 | LogP | 3.23048 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H3ClF3N | Boiling Point | 221 °C at 760 mmHg |
Molecular Weight | 205.567 | Flash Point | 87.5 °C |
Transport Information | UN 3276 | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
o-Tolunitrile,4-chloro-a,a,a-trifluoro- (7CI,8CI);4-Chloro-2-trifluoromethylbenzonitrile; |
Article Data | 4 |
The 4-Chloro-2-(trifluoromethyl)benzonitrile with cas registry number of 320-41-2 is a kind of Fluorobenzene compounds. Both its systematic name and IUPAC name are the same which is called 4-chloro-2-(trifluoromethyl)benzonitrile.
The physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 211.46; (6)ACD/BCF (pH 7.4): 211.46; (7)ACD/KOC (pH 5.5): 1606.95; (8)ACD/KOC (pH 7.4): 1606.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 41.13 cm3; (14)Molar Volume: 143.5 cm3; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.43 g/cm3; (17)Flash Point: 87.5 °C; (18)Enthalpy of Vaporization: 45.75 kJ/mol; (19)Boiling Point: 221 °C at 760 mmHg; (20)Vapour Pressure: 0.109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cc(Cl)cc1)C(F)(F)F;
(2)InChI: InChI=1/C8H3ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H;
(3)InChIKey: GRNQHTXPUDZMGB-UHFFFAOYAE