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Name |
2-Chloromethyloxazole |
EINECS | N/A |
CAS No. | 185246-17-7 | Density | 1.262 g/cm3 |
PSA | 26.03000 | LogP | 1.41340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4ClNO | Boiling Point | 143.505 °C at 760 mmHg |
Molecular Weight | 117.535 | Flash Point | 40.591 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Chloromethyl)-1,3-oxazole;2-(Chloromethyl)oxazole; |
Article Data | 4 |
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