2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole supplier

Name
2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole
EINECS
CAS No. 79383-00-9
Density 1.242 g/cm³
Solubility
Melting Point
Formula C₁₀H₉ClN₂O
Boiling Point 345.1 °C at 760 mmHg
Molecular Weight 208.64
Flash Point 162.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole;
PSA 38.92000
LogP 2.78380

2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole Specification

The systematic name of 2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole is 1,3,4-oxadiazole, 2-[4-(chloromethyl)phenyl]-5-methyl-. With the CAS registry number 79383-00-9, it is also named as 1,3,4-Oxadiazole,2-[4-(chloromethyl)phenyl]-5-methyl-. The product's category is heterocycle, its molecular formula is C₁₀H₉ClN₂O and its molecular weight is 208.64.

The other characteristics of 2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole can be summarized as: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.53; (6)ACD/BCF (pH 7.4): 2.53; (7)ACD/KOC (pH 5.5): 67.73; (8)ACD/KOC (pH 7.4): 67.73; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 53.91 cm³; (14)Molar Volume: 167.9 cm³; (15)Surface Tension: 45.3 dyne/cm; (16)Density: 1.242 g/cm³; (17)Flash Point: 162.5 °C; (18)Enthalpy of Vaporization: 56.59 kJ/mol; (19)Boiling Point: 345.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000125 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1nnc(o1)c2ccc(cc2)CCl
(2)InChI:InChI=1/C10H9ClN2O/c1-7-12-13-10(14-7)9-4-2-8(6-11)3-5-9/h2-5H,6H2,1H3
(3)InChIKey:CLTPTRKSYKZWDD-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C10H9ClN2O/c1-7-12-13-10(14-7)9-4-2-8(6-11)3-5-9/h2-5H,6H2,1H3
(5)Std. InChIKey:CLTPTRKSYKZWDD-UHFFFAOYSA-N

Product Name

2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole

2-(4-Chloromethylphenyl)-5-methyl-1,3,4-oxadiazole Specification

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