Benzoic anhydride - CAS 93-97-0
Catalog: |
BB041142 |
Product Name: |
Benzoic anhydride |
CAS: |
93-97-0 |
Synonyms: |
benzoyl benzoate |
IUPAC Name: | benzoyl benzoate |
Description: | Benzoic anhydride (CAS# 93-97-0) is the more active analogue of benzoic acid formed via dehydration. Benzoic Anhydride is used in the synthesis of a wide range of organic compounds including some dyes. Benzoic Anhydride is also used as an arylation agent in the Heck reaction. |
Molecular Weight: | 226.23 |
Molecular Formula: | C14H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 |
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 |
InChI Key: | CHIHQLCVLOXUJW-UHFFFAOYSA-N |
Boiling Point: | 360 °C |
Melting Point: | 38-44 °C |
Purity: | 95 % |
Density: | 1.199 g/cm3 |
Appearance: | White to off-white flakes |
Storage: | Store at RT. |
MDL: | MFCD00003073 |
LogP: | 2.68380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22925773 | 20121001 | Regioselective benzoylation of glycopyranosides by benzoic anhydride in the presence of Cu(CF3COO)2 | Carbohydrate research |
22370176 | 20120501 | Hydrophobication and characterisation of O-acetyl-galactoglucomannan for papermaking and barrier applications | Carbohydrate research |
22219581 | 20111001 | Is propolis safe as an alternative medicine? | Journal of pharmacy & bioallied sciences |
21863902 | 20110921 | Catalytic enantioselective desymmetrization of meso-diamines: a dual small-molecule catalysis approach | Journal of the American Chemical Society |
21545719 | 20110505 | Estimation of affinities of ligands in mixtures via magnetic recovery of target-ligand complexes and chromatographic analyses: chemometrics and an experimental model | BMC biotechnology |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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