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3-Benzoylbenzoic Acid
[CAS# 579-18-0]

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Identification
Classification Chemical reagent >> Organic reagent >> Aromatic acid
Name 3-Benzoylbenzoic Acid
Synonyms 3-(Oxo-Phenylmethyl)Benzoic Acid; 3-Phenylcarbonylbenzoic Acid; M-Benzoylbenzoic Acid
Molecular Structure CAS#: 579-18-0, 3-Benzoylbenzoic Acid
Molecular Formula C14H10O3
Molecular Weight 226.23
CAS Registry Number 579-18-0
SMILES C1=C(C=CC=C1C(C2=CC=CC=C2)=O)C(O)=O
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
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 162-166°C (Expl.)
Boiling point 428.9±28.0°C at 760 mmHg (Cal.)
Flash point 227.3±20.5°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
SDS Available
References
(1) Szunerits Sabine. Photografting and patterning of oligonucleotides on benzophenone-modified boron-doped diamond, Chemical Communications, 2007
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