o-Benzoylbenzoic acid
2-Benzoylbenzoic acid
CAS: 85-52-9
Molecular Formula: C14H10O3
o-Benzoylbenzoic acid - Names and Identifiers
| Name | 2-Benzoylbenzoic acid |
| Synonyms | AKOS BBS-00000803 RARECHEM AL BO 1426 o-benzoyl-benzoicaci o-Benzoylbenzoic acid o-Carboxybenzophenone 2-Beznoylbenzoic acid 2-CARBOXYBENZOPHENONE 2-Benzoylbenzoic acid 2-BENZOYLBENZOIC ACID 2-Carboxybenzophenone 2-(phenylcarbonyl)benzoate benzophenone-2-carbonicacid Benzophenone-2-carboxylic acid Diphenylmethanone-2-carboxylicacid |
| CAS | 85-52-9 |
| EINECS | 201-612-2 |
| InChI | InChI=1/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)/p-1 |
| InChIKey | FGTYTUFKXYPTML-UHFFFAOYSA-N |
o-Benzoylbenzoic acid - Physico-chemical Properties
| Molecular Formula | C14H10O3 |
| Molar Mass | 226.23 |
| Density | 1.2022 (rough estimate) |
| Melting Point | 126-129 °C (lit.) |
| Boling Point | 257-265 °C (lit.) |
| Flash Point | 257°C |
| Water Solubility | 284mg/L at 20℃ |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 2.17E-08mmHg at 25°C |
| Appearance | Crystalline Powder |
| Color | Almost white to slightly beige |
| BRN | 1107841 |
| pKa | pK1: 3.54 (25°C) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5767 (estimate) |
| MDL | MFCD00002472 |
| Physical and Chemical Properties | Three oblique needle crystal. melting point 127~129 ℃ soluble in ethanol, ether, soluble in hot benzene. |
| Use | Is an important dye, pharmaceutical intermediates |
o-Benzoylbenzoic acid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 2 |
| RTECS | DG3600000 |
| TSCA | Yes |
| HS Code | 29183000 |
| Toxicity | LD50 orl-rat: 4600 mg/kg GTPZAB 15(11),52,71 |
o-Benzoylbenzoic acid - Upstream Downstream Industry
| Raw Materials | Benzene Phthalic anhydride |
o-Benzoylbenzoic acid - Nature
Open Data Verified Data
three oblique needle crystal. The melting point was 127-129 °c. Soluble in ethanol, ether, soluble in hot benzene.
Last Update：2024-01-02 23:10:35
o-Benzoylbenzoic acid - Preparation Method
Open Data Verified Data
phthalic anhydride and benzene are condensed in the presence of aluminum trichloride and hydrolyzed. The by-product hydrochloric acid gas in the reaction should be absorbed into dilute hydrochloric acid with water for later use.
Last Update：2022-01-01 10:43:17
o-Benzoylbenzoic acid - Use
Open Data Verified Data
The main raw materials for the production of anthraquinone dye intermediates. Can be prepared by anthraquinone, benzene around fluorenone, 1-amino anthraquinone and so on.
Last Update：2022-01-01 10:43:17
o-Benzoylbenzoic acid - Safety
Open Data Verified Data
- This product is toxic. Irritation of the skin and mucous membranes. Rat oral LD50 400mg/kg, mice intraperitoneal injection of LD50 562mg/kg. Production equipment should be sealed to prevent leakage. The operator should wear protective gear.
- the use of iron drum closed packaging, 17 0kg per barrel. Store in a cool, ventilated place. According to the provisions of toxic substances storage and transportation.
Last Update：2022-01-01 10:43:18
o-Benzoylbenzoic acid - Reference Information
| LogP | 1.4 at 35℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | O-benzoylbenzoic acid is a reagent that can be used to synthesize BzATP triethylammonium salt, it is a selective P2X purinergic agonist. It is more potent than ATP at the homodimeric P2X7 receptor. |
| Application | is an important dye and pharmaceutical intermediate It is the main raw material of anthraquinone dye intermediate, it is used in the manufacture of anthraquinones, benzoxanones, 1-aminoanthraquinones, etc. |
| production method | phthalic anhydride and benzene are condensed in the presence of aluminum trichloride and hydrolyzed. The by-product hydrochloric acid gas in the reaction should be absorbed into dilute hydrochloric acid with water for later use. Industrial benzoyl benzoic acid is white to beige powder, the purity of more than 97%, dry initial melting point is greater than or equal to 126.0%. Raw material consumption quota: phthalic anhydride 690kg/t, pure benzene (95%)402kg/t, aluminum chloride (98.5%)1358kg/t, sulfuric acid (98%)500kg/t. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 4600 mg/kg; Oral-mouse LD50: 880 mg/kg |
| flammability hazard characteristics | flammable; Combustion-induced irritating smoke |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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Raw Materials for o-Benzoylbenzoic acid