Products Categories
| CAS No.: | 579-18-0 |
|---|---|
| Name: | 3-BENZOYLBENZOIC ACID |
| Article Data: | 14 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H10O3 |
| Molecular Weight: | 226.232 |
| Synonyms: | Benzoicacid, m-benzoyl- (7CI,8CI);3-Benzophenonecarboxylic acid;3-Benzoylbenzoicacid;3-Carboxybenzophenone;NSC 409446;m-Benzoylbenzoic acid;m-Carboxybenzophenone; |
| EINECS: | -0 |
| Density: | 1.256 g/cm3 |
| Melting Point: | 164-166 °C (lit.) |
| Boiling Point: | 428.913 °C at 760 mmHg |
| Flash Point: | 227.341 °C |
| Solubility: | Insoluble in water. |
| Appearance: | white to light beige powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 54.37000 |
| LogP: | 2.61580 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:23 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Benzoic acid, 3-benzoyl-, with the CAS registry number of 579-18-0, is also known as m-Benzoylbenzoic acid. It belongs to the product categories of Aromatic Benzophenones & Derivatives (substituted); C13 to C42+; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C14H10O3 and molecular weight is 226.23. What's more, its IUPAC name is 3-Benzoylbenzoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant.
Physical properties about Benzoic acid, 3-benzoyl- are: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.391; (4)ACD/LogD (pH 7.4): 0.024; (5)ACD/BCF (pH 5.5): 2.719; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.435; (8)ACD/KOC (pH 7.4): 1.051; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.37 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 62.976 cm3; (15)Molar Volume: 180.078 cm3; (16)Surface Tension: 54.391 dyne/cm; (17)Density: 1.256 g/cm3; (18)Flash Point: 227.341 °C; (19)Enthalpy of Vaporization: 72.116 kJ/mol; (20)Boiling Point: 428.913 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
Preparation: this chemical is prepared by 3-Methyl-benzophenone at heating. This reaction needs reagents Chromium trioxide, conc. H2SO4, Acetic acid. Meanwhile, it needs solvent H2O. The yield is about 87 %.
.jpg)
Uses: it is used to produce other chemicals. For example, it is used to produce 3-Benzyl-benzoic acid. This reaction needs reagents NaOH and aq. Hydrazine. Meanwhile, it needs solvent Triethylene glycol. The reaction time is 18 hours with reaction temperature of 110-120 °C. The yield is about 80 %.
.jpg)
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(=O)c2cccc(c2)C(=O)O
(2) InChI: InChI=1/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17)
(3) InChIKey: AXJXRLHTQQONQR-UHFFFAOYAG