CAS No.185246-17-7,2-Chloromethyloxazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	185246-17-7
Name:	2-Chloromethyloxazole
Article Data:	4

Formula:	C₄H₄ClNO
Molecular Weight:	117.535
Synonyms:	2-(Chloromethyl)-1,3-oxazole;2-(Chloromethyl)oxazole;
Density:	1.262 g/cm³
Boiling Point:	143.505 °C at 760 mmHg
Flash Point:	40.591 °C
PSA:	26.03000
LogP:	1.41340

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Specification

The 2-Chloromethyloxazole, with CAS registry number 185246-17-7, has the systematic name of 2-(chloromethyl)-1,3-oxazole. And its IUPAC name is the same one. Besides this, it is also called oxazole, 2-(chloromethyl)-. And this chemical should be stored at the temperature of -20°C.

Physical properties about this chemical are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 45; (8)ACD/KOC (pH 7.4): 45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 26.409 cm³; (15)Molar Volume: 93.147 cm³; (16)Polarizability: 10.469×10^-24cm³; (17)Surface Tension: 37.599 dyne/cm; (18)Enthalpy of Vaporization: 36.492 kJ/mol; (19)Vapour Pressure: 6.681 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1coc(n1)CCl
(2)InChI: InChI=1/C4H4ClNO/c5-3-4-6-1-2-7-4/h1-2H,3H2
(3)InChIKey: NAOPGVBLRHCPHI-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C4H4ClNO/c5-3-4-6-1-2-7-4/h1-2H,3H2
(5)Std. InChIKey: NAOPGVBLRHCPHI-UHFFFAOYSA-N