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2-(5-Phenyl-2-oxazolyl)benzoic acid

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Name

2-(5-Phenyl-2-oxazolyl)benzoic acid

EINECS N/A
CAS No. 23464-97-3 Density 1.271g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point 195-199 °C
Formula C16H11NO3 Boiling Point 494.5 °C at 760 mmHg
Molecular Weight 265.26 Flash Point 252.9 °C
Transport Information N/A Appearance N/A
Safety 26-39 Risk Codes 37/38-41
Molecular Structure Molecular Structure of 23464-97-3 (2-(5-Phenyl-2-oxazolyl)benzoic acid) Hazard Symbols IrritantXi
Synonyms

2-(5-PHENYL-2-OXAZOLYL)BENZOIC ACID;benzoic acid, 2-(5-phenyl-2-oxazolyl)-

Article Data 1

2-(5-Phenyl-2-oxazolyl)benzoic acid 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

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