-
Name
Oxazoline
- EINECS 208-000-4
- CAS No. 27341-52-2
- Density 1.13 g/cm3
- Solubility
- Melting Point 168-1720C
- Formula C3H5NO
- Boiling Point 73.8 °C at 760 mmHg
- Molecular Weight 71.08
- Flash Point 5.2 °C
- Transport Information UN 3092 3/PG 3
- Appearance White crystalline solid
- Safety 16-26-36
- Risk Codes 10-36/37/38
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Epocros RPS 005;Oxazole,2-ethenyl-4,5-dihydro-,polymer with ethenylbenzene;Epocros K 1010E;XUS 40056.01;
- PSA 21.26000
- LogP 0.36370
Oxazoline Specification
The Oxazoline with the CAS number 27341-52-2 is also called Epocros RPS 005. The systematic name is 4,5-dihydro-1,3-oxazole. Its molecular formula is C3H5NO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Oxazoline are: (1)ACD/LogP: -0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.93; (8)ACD/KOC (pH 7.4): 9.3; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.59Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 18.25 cm3; (15)Molar Volume: 62.6 cm3; (16)Polarizability: 7.23×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Enthalpy of Vaporization: 30.2 kJ/mol; (19)Vapour Pressure: 123 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C\OCC/1
(2)InChI: InChI=1/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2
(3)InChIKey: IMSODMZESSGVBE-UHFFFAOYAJ
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