Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-chlorophenyl)- |
EINECS | N/A |
CAS No. | 57238-75-2 | Density | 1.4 g/cm3 |
PSA | 38.92000 | LogP | 3.12880 |
Solubility | N/A | Melting Point |
60 °C |
Formula | C9H6Cl2N2O | Boiling Point | 343.8 °C at 760 mmHg |
Molecular Weight | 229.065 | Flash Point | 161.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
1,2,4-Oxadiazole,5-(chloromethyl)-3-(p-chlorophenyl)- (7CI);5-(Chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole; |
Article Data | 16 |
The CAS register number of 1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-chlorophenyl)- is 57238-75-2. It also can be called as 5-Chloromethyl-3-(4-chloro-phenyl)-[1,2,4]oxadiazole and the IUPAC name about this chemical is 5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole. The molecular formula about this chemical is C9H6Cl2N2O and the molecular weight is 229.06.
Physical properties about 1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-chlorophenyl)- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 181.98; (5)ACD/BCF (pH 7.4): 181.98; (6)ACD/KOC (pH 5.5): 1443.21; (7)ACD/KOC (pH 7.4): 1443.21; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.92Å2; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 53.98 cm3; (13)Molar Volume: 163.6 cm3; (14)Polarizability: 21.4x10-24cm3; (15)Surface Tension: 49.5 dyne/cm; (16)Enthalpy of Vaporization: 56.45 kJ/mol; (17)Boiling Point: 343.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000136 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: Clc2ccc(c1nc(on1)CCl)cc2
(2)InChI: InChI=1/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
(3)InChIKey: BJVYSQGEJHKTBW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
(5)Std. InChIKey: BJVYSQGEJHKTBW-UHFFFAOYSA-N