ChemicalBook--->CAS DataBase List--->579-18-0

579-18-0

579-18-0 Structure

579-18-0 Structure
IdentificationMore
[Name]

3-BENZOYLBENZOIC ACID
[CAS]

579-18-0
[Synonyms]

3-BENZOYLBENZOIC ACID
BENZOPHENONE-3-CARBOXYLIC ACID
M-BENZOYL BENZOIC ACID
3-benzoyl-benzoicaci
3-BENZOYL-BENZONIC ACID
3-Benzoylbenzoicacid,98%
3-carboxybenzophenone
META-BENZOYLBENZOICACID
[EINECS(EC#)]

621-014-9
[Molecular Formula]

C14H10O3
[MDL Number]

MFCD00002518
[Molecular Weight]

226.23
[MOL File]

579-18-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to light beige powder
[Melting point ]

164-166 °C (lit.)
[Boiling point ]

327.84°C (rough estimate)
[density ]

1.2022 (rough estimate)
[refractive index ]

1.5767 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Powder
[pka]

3.86±0.10(Predicted)
[color ]

White to light beige
[Water Solubility ]

Insoluble in water.
[BRN ]

2212366
[InChI]

InChI=1S/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)
[InChIKey]

AXJXRLHTQQONQR-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1
[CAS DataBase Reference]

579-18-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29183000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white to light beige powder
[Uses]

3-Benzoylbenzoic acid has been used in light-induced reactions on benzophenone-terminated boron-doped diamond (BDD) surfaces and preparation of benzophenone flavonol derivative.
[Purification Methods]

Crystallise the acid from EtOH and sublime it at 160o/1mm. [Beilstein 10 H 752, 10 III 3304, 10 IV 2982.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-BENZOYLBENZOIC ACID(579-18-0)1HNMR
3-BENZOYLBENZOIC ACID(579-18-0)Raman
3-BENZOYLBENZOIC ACID(579-18-0)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Benzoylbenzoic acid, 98%(579-18-0)
[Sigma Aldrich]

579-18-0(sigmaaldrich)
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