4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-5-methyl- supplier

Name
2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 2940-23-0
Density 1.385 g/cm³
Solubility
Melting Point
Formula C₁₁H₈ClNO₃
Boiling Point 422.6 °C at 760 mmHg
Molecular Weight 237.642
Flash Point 209.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Oxazolecarboxylicacid, 2-(p-chlorophenyl)-5-methyl- (7CI,8CI);
PSA 63.33000
LogP 3.00160

4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-5-methyl- Specification

The 4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-5-methyl-, with the CAS registry number 2940-23-0, is also known as ZINC04205357. This chemical's molecular formula is C₁₁H₈ClNO₃ and molecular weight is 237.6391. Its IUPAC name is called 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate.

Physical properties of 4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-5-methyl-: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.78; (7)ACD/KOC (pH 7.4): 1.05; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 57.88 cm³; (13)Molar Volume: 171.4 cm³; (14)Surface Tension: 53.7 dyne/cm; (15)Density: 1.385 g/cm³; (16)Flash Point: 209.4 °C; (17)Enthalpy of Vaporization: 71.36 kJ/mol; (18)Boiling Point: 422.6 °C at 760 mmHg; (19)Vapour Pressure: 6.74E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C(=O)[O-]
(2)InChI: InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)13-10(16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)/p-1
(3)InChIKey: VKGNZWBREYZBKG-UHFFFAOYSA-M

Product Name

2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOLE-4-CARBOXYLIC ACID

4-Oxazolecarboxylicacid, 2-(4-chlorophenyl)-5-methyl- Specification

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