Name: 2-(5-Phenyl-2-oxazolyl)benzoic acid
SKU: 23464-97-3

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Basic Information

Molecular Structure:
CAS No.:	23464-97-3
Name:	2-(5-Phenyl-2-oxazolyl)benzoic acid
Article Data:	1

Formula:	C₁₆H₁₁NO₃
Molecular Weight:	265.26
Synonyms:	2-(5-PHENYL-2-OXAZOLYL)BENZOIC ACID;benzoic acid, 2-(5-phenyl-2-oxazolyl)-
Density:	1.271g/cm³
Melting Point:	195-199 °C
Boiling Point:	494.5 °C at 760 mmHg
Flash Point:	252.9 °C
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39

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Specification

This chemical is called 2-(5-Phenyl-2-oxazolyl)benzoic acid, and its systematic name is 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid. With the molecular formula of C₁₆H₁₁NO₃, its molecular weight is 265.26. The CAS registry number of this chemical is 23464-97-3. Additionally, its product categories are Building Blocks; Heterocyclic Building Blocks; Oxazoles.

Other characteristics of the 2-(5-Phenyl-2-oxazolyl)benzoic acid can be summarised as followings: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1.82; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.66; (8)ACD/KOC (pH 7.4): 1.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.33 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 72.75 cm³; (15)Molar Volume: 208.5 cm³; (16)Polarizability: 28.84×10^-24cm³; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 252.9 °C; (20)Enthalpy of Vaporization: 80.24 kJ/mol; (21)Boiling Point: 494.5 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-10 mmHg at 25°C.

Uses of this chemical: The 2-(5-Phenyl-2-oxazolyl)benzoic acid could be used to produce the 2-(5-phenyloxazol-2-yl)benzoyl chloride. This reaction needs the reagent of thionyl chloride. The yield is 100 %. In addition, this reaction should be taken for 1 hour by heating.

The 2-(5-Phenyl-2-oxazolyl)benzoic acid could be used to produce the 2-(5-phenyloxazol-2-yl)benzoyl chloride

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to respiratory system and skin. It has risk of serious damage to the eyes. Please wear eye / face protection if you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccccc1c2ncc(o2)c3ccccc3
2.InChI: InChI=1/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19)
3.InChIKey: HEIBWPHLFHWDAX-UHFFFAOYAQ