CAS No.3914-42-9,2-(CHLOROMETHYL)-5-METHYL-1,3,4-OXADIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3914-42-9
Name:	2-(CHLOROMETHYL)-5-METHYL-1,3,4-OXADIAZOLE

Formula:	C₄H₅ClN₂O
Molecular Weight:	132.549
Synonyms:	5-(Chloromethyl)-2-methyl-1,3,4-oxadiazole;2-Methyl-5-chloromethyl-1,3,4-oxadiazole;2-Chloromethyl-5-methyl-1,3,4-oxadiazole;1-(2-Methyl-1,3-thiazol-4-yl)methanamine;
Density:	1.291 g/cm³
Melting Point:	135-137 °C
Boiling Point:	211.669 °C at 760 mmHg
Flash Point:	81.815 °C
PSA:	38.92000
LogP:	1.11680

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Specification

The 1,3,4-Oxadiazole,2-(chloromethyl)-5-methyl-, with the CAS registry number 3914-42-9, is also known as 1-(2-Methyl-1,3-thiazol-4-yl)methanamine. This chemical's molecular formula is C₄H₅ClN₂O and molecular weight is 132.55. What's more, its systematic name is 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole.

Physical properties of 1,3,4-Oxadiazole,2-(chloromethyl)-5-methyl- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.637; (4)ACD/LogD (pH 7.4): 0.637; (5)ACD/BCF (pH 5.5): 1.795; (6)ACD/BCF (pH 7.4): 1.795; (7)ACD/KOC (pH 5.5): 52.898; (8)ACD/KOC (pH 7.4): 52.898; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.92 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 29.326 cm³; (15)Molar Volume: 102.646 cm³; (16)Polarizability: 11.626×10^-24cm³; (17)Surface Tension: 42.736 dyne/cm; (18)Density: 1.291 g/cm³; (19)Flash Point: 81.815 °C; (20)Enthalpy of Vaporization: 42.97 kJ/mol; (21)Boiling Point: 211.669 °C at 760 mmHg; (22)Vapour Pressure: 0.262 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NN=C(O1)CCl
(2)InChI: InChI=1S/C4H5ClN2O/c1-3-6-7-4(2-5)8-3/h2H2,1H3
(3)InChIKey: KJLQSWULHSLSOM-UHFFFAOYSA-N