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CAS No.: | 790-83-0 |
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Name: | DIPHENYLMETHANE-4,4'-DICARBOXYLIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C15H12O4 |
Molecular Weight: | 256.258 |
Synonyms: | Benzoicacid, 4,4'-methylenedi- (6CI,7CI,8CI);4,4'-Methylenedibenzoic acid;4-[(4-Carboxyphenyl)methyl]benzoic acid;Bis(p-carboxyphenyl)methane;Diphenylmethane-4,4'-dicarboxylic acid; |
Density: | 1.321 g/cm3 |
Melting Point: | 346 °C |
Boiling Point: | 485.2 °C at 760 mmHg |
Flash Point: | 261.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
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The Benzoicacid, 4,4'-methylenebis-, with the CAS registry number 790-83-0, is also known as 4-[(4-Carboxyphenyl)methyl]benzoic acid. This chemical's molecular formula is C15H12O4 and molecular weight is 256.25. What's more, its systematic name is 4,4'-Methanediyldibenzoic acid and it belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.
Physical properties of Benzoicacid, 4,4'-methylenebis- are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 69.42 cm3; (14)Molar Volume: 193.8 cm3; (15)Polarizability: 27.52×10-24 cm3; (16)Surface Tension: 61.3 dyne/cm; (17)Density: 1.321 g/cm3; (18)Flash Point: 261.3 °C; (19)Enthalpy of Vaporization: 79.06 kJ/mol; (20)Boiling Point: 485.2 °C at 760 mmHg; (21)Vapour Pressure: 3.16E-10 mmHg at 25°C.
Preparation: this chemical can be prepared by C25H36O4Si2 at the temperature of 20 °C. This reaction will need reagent TBAF and solvent tetrahydrofuran and the yield is about 49%.
Uses of Benzoicacid, 4,4'-methylenebis-: it can be used to produce C25H36O4Si2 at the temperature of 20 °C. It will need reagent DCC and solvent tetrahydrofuran and the yield is about 57%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C15H12O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
(3)InChIKey: VTDMBRAUHKUOON-UHFFFAOYSA-N