4-(Phenylethynyl)benzoic acid supplier

Name
4-PHENYLETHYNYL-BENZOIC ACID
EINECS
CAS No. 25739-23-5
Article Data40
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point 220.5-221.0 °C(Solv: ethanol (64-17-5))
Formula C₁₅H₁₀O₂
Boiling Point 407.3 °C at 760 mmHg
Molecular Weight 222.243
Flash Point 185.6°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 4-(phenylethynyl)- (9CI);Benzoic acid, p-(phenylethynyl)- (6CI,7CI,8CI);(p-Carboxyphenyl)phenylacetylene;4-(Phenylethynyl)benzoic acid;Tolan-4-carboxylic acid;p-(Phenylethynyl)benzoic acid;
PSA 37.30000
LogP 2.78460

4-(Phenylethynyl)benzoic acid Specification

The 4-(Phenylethynyl)benzoic acid , with the CAS register number 25739-23-5, has the systematic name of 4-(phenylethynyl)benzoic acid. Besides, it is also called as RARECHEM AL BO 1652 ,ART-CHEM-BB B025059 ,4-PHENYLETHYNYL-BENZOIC ACID ,AKOS B025059 ,AKOS BAR-2464 ,Albb-005706 and so on.

The characteristics of this kind of chemical: (1)ACD/BCF (pH 5.5): 53.77 ; (2)ACD/BCF (pH 7.4): 1.7 ; (3)ACD/KOC (pH 5.5): 237.1 ; (4)ACD/KOC (pH 7.4): 7.52 ; (5)#H bond acceptors: 2 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 2 ; (8)Polar Surface Area: 26.3 ; (9)Index of Refraction: 1.655 ; (10)Molar Refractivity: 65 cm³ ; (11)Molar Volume: 177 cm³ ; (12)Polarizability: 25.77× 10-24cm³; (13)Surface Tension: 61.2 dyne/cm ; (14)Density: 1.25 g/cm³ ; (15)Flash Point: 185.6 °C ; (16)Enthalpy of Vaporization: 69.5 kJ/mol ; (17)Boiling Point: 407.3 °C at 760 mmHg ; (18)Vapour Pressure: 2.3E-07 mmHg at 25°C .

This kind of chemical belongs to the product categories, such as Carboxylic Acids ,Phenyls & Phenyl-Het ,Carboxylic Acids , and Phenyls & Phenyl-Het . As for its application, it is usually used in the pharmaceutic intermediate. And it is irritant, so while using this chemical, you need to be cautious if contacting.

If you need, you could convert the following data information to the molecular structure:
(1)SMILES: O=C(O)c2ccc(C#Cc1ccccc1)cc2
(2)InChI: InChI=1/C15H10O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,16,17)
(3) InChIKey: OGZUGPOTBGMCLE-UHFFFAOYAY

This kind of chemical have many suppliers around the world, such as Ontario Chemicals,Inc and Beyond Pharmatech Corporation Limited, etc.

Product Name

4-PHENYLETHYNYL-BENZOIC ACID

4-(Phenylethynyl)benzoic acid Specification

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