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| CAS No.: | 93-97-0 |
|---|---|
| Name: | Benzoic anhydride |
| Article Data: | 391 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H10O3 |
| Molecular Weight: | 226.232 |
| Synonyms: | Benzoicacid, anhydride (9CI);Benzoic anhydride (8CI);Benzoylbenzoate;NSC 37116;Benzoic anhydride; |
| EINECS: | 202-291-1 |
| Density: | 1.211 g/cm3 |
| Melting Point: | 38-42 °C(lit.) |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 168.4 °C |
| Solubility: | water: 0.01 g/L |
| Appearance: | white to almost white crystals or crystalline |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41-36/37/38 |
| Safety: | 26-39-37/39 |
| PSA: | 43.37000 |
| LogP: | 2.68380 |
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| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride; potassium carbonate In toluene for 3h; Heating; | 99% |
| With pyridine; 1,1,1-trichloro-3,3,3-trifluoro-propan-2-one; water In toluene for 0.5h; Ambient temperature; | 97% |
| With water; triethylamine In acetone at 20℃; for 1h; | 97% |
| Conditions | Yield |
|---|---|
| With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In dichloromethane at 20℃; for 0.5h; | 99% |
| With 2,6-dimethylpyridine; tris(2,2'-bipyridyl)ruthenium dichloride; carbon tetrabromide; N,N-dimethyl-formamide at 25 - 30℃; for 12h; Inert atmosphere; Photolysis; | 99% |
| With thionyl chloride In dichloromethane at 22 - 25℃; for 1h; | 98.6% |
| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride In chloroform at 20℃; for 2h; Acylation; | 98% |
| With 1,4-diaza-bicyclo[2.2.2]octane for 0.1h; | 98% |
- 155164-66-2
2-benzoyl-4,5-dichloropyridazin-3(2H)-one
A
- 932-22-9
4,5-dichloro-2H-pyridazin-3-one
B
- 93-97-0
benzoic acid anhydride
| Conditions | Yield |
|---|---|
| With zinc(II) chloride In acetonitrile for 7h; Heating; | A n/a B 97% |
| Conditions | Yield |
|---|---|
| Stage #1: benzoic acid With trichloroisocyanuric acid; triphenylphosphine In dichloromethane at 0 - 20℃; Stage #2: Potassium benzoate In dichloromethane at 20℃; for 0.833333h; Reagent/catalyst; Solvent; Time; | 95% |
| Conditions | Yield |
|---|---|
| In toluene at 40℃; for 0.5h; | 92% |
| Conditions | Yield |
|---|---|
| Pyridine 1-oxide hydrochloride In dichloromethane; water at 22℃; Kinetics; Rate constant; Thermodynamic data; mechanism, effect of agitation, influence of ionic strength, other org. solvents, other temperatures; | A 91.8% B n/a |
| In dichloromethane; water Thermodynamic data; influence of ionic strength; |
| Conditions | Yield |
|---|---|
| cobalt(II) chloride In dichloromethane; acetonitrile at 40℃; various acid chlorides, other carboxylic acids; | 91% |
| cobalt(II) chloride In dichloromethane; acetonitrile at 40℃; | 91% |
| With Fe/SWCNTs at 20℃; for 1.41667h; | 90% |
| Conditions | Yield |
|---|---|
| With aluminum oxide In acetonitrile at 85 - 115℃; for 7h; Concentration; Temperature; Large scale; | 91% |
- 124-63-0
methanesulfonyl chloride
- 65-85-0
benzoic acid
A
- 26926-35-2
Benzoesaeure-methansulfonsaeure-anhydrid
B
- 93-97-0
benzoic acid anhydride
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0℃; | A 90% B 20% |
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Specification
The Benzoic anhydride is an organic compound with the formula C14H10O3. The IUPAC name of this chemical is benzoyl benzoate. With the CAS registry number 93-97-0, it is also named as phenylcarbonyl benzoate. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Biochemistry; Nucleosides, Nucleotides & Related Reagents; Protecting Agents for Hydroxyl and Amino Groups; Protecting Agents, Phosphorylating Agents & Condensing Agents; Reagents for Oligosaccharide Synthesis; Carboxylic Acid Anhydrides; Carbonyl Compounds; Organic Building Blocks. Besides, it is a white to almost white crystal or crystalline, which should be stored in a closed cool and dry palce. It is a major industrial chemical widely used for preparing acetate esters, e.g. cellulose acetate.
Physical properties about Benzoic anhydride are: (1)ACD/LogP: 2.738; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 70.94; (5)ACD/BCF (pH 7.4): 70.94; (6)ACD/KOC (pH 5.5): 735.32; (7)ACD/KOC (pH 7.4): 735.32; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 62.992 cm3; (12)Molar Volume: 186.741 cm3; (13)Polarizability: 24.972 10-24cm3; (14)Surface Tension: 48.5200004577637 dyne/cm; (15)Density: 1.211 g/cm3; (16)Flash Point: 168.44 °C; (17)Enthalpy of Vaporization: 60.566 kJ/mol; (18)Boiling Point: 360 °C at 760 mmHg
Preparation of Benzoic anhydride: Benzoic anhydride is mainly produced by the carbonylation of methyl acetate. Maleic anhydride is produced by the oxidation of benzene or butane. Laboratory routes emphasize the dehydration of the corresponding acids. The conditions vary from acid to acid, but phosphorus pentoxide is a common dehydrating agent:
2 CH3COOH + P4O10 → CH3C(O)OC(O)CH3 + "(HO)2P4O9"
Uses of Benzoic anhydride: it can be used to produce furan-2-yl-phenyl-methanone by heating. This reaction is a kind of Friedel-Crafts acylation. It will need solvent CH2Cl2. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
It is risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(=O)c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: CHIHQLCVLOXUJW-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H
(5)Std. InChIKey: CHIHQLCVLOXUJW-UHFFFAOYSA-N