4-Oxazolecarboxaldehyde,2,5-dimethyl- supplier

Name
2,5-DIMETHYL-1,3-OXAZOLE-4-CARBALDEHYDE
EINECS
CAS No. 92901-88-7
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₂
Boiling Point 197.8 °C at 760 mmHg
Molecular Weight 125.127
Flash Point 73.4 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;2,5-Dimethyloxazole-4-carbaldehyde;
PSA 43.10000
LogP 1.10390

4-Oxazolecarboxaldehyde,2,5-dimethyl- Specification

The 4-Oxazolecarboxaldehyde,2,5-dimethyl-, with the CAS registry number 92901-88-7, has the systematic name and IUPAC name of 2,5-dimethyl-1,3-oxazole-4-carbaldehyde. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₆H₇NO₂.

The characteristics of 4-Oxazolecarboxaldehyde,2,5-dimethyl- are as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.45; (8)ACD/KOC (pH 7.4): 25.45; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.1 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 33.04 cm³; (15)Molar Volume: 109.6 cm³; (16)Polarizability: 13.1×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 73.4 °C; (20)Enthalpy of Vaporization: 43.4 kJ/mol; (21)Boiling Point: 197.8 °C at 760 mmHg; (22)Vapour Pressure: 0.371 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1nc(oc1C)C
(2)InChI: InChI=1/C6H7NO2/c1-4-6(3-8)7-5(2)9-4/h3H,1-2H3
(3)InChIKey: MLYKOGIEABSYKL-UHFFFAOYAS

Product Name

2,5-DIMETHYL-1,3-OXAZOLE-4-CARBALDEHYDE

4-Oxazolecarboxaldehyde,2,5-dimethyl- Specification

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