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23107-96-2

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Basic Information
CAS No.: 23107-96-2
Name: 2-Benzoylbenzeneacetic acid
Article Data: 16
Molecular Structure:
Molecular Structure of 23107-96-2 (2-Benzoylbenzeneacetic acid)
Formula: C15H12 O3
Molecular Weight: 240.258
Synonyms: Aceticacid, (o-benzoylphenyl)- (7CI,8CI); 2-(Carboxymethyl)benzophenone;2-Benzoylphenylacetic acid; F 1211; RU 5045; o-Benzoylphenylacetic acid
Density: 1.232g/cm3
Melting Point: 139 °C
Boiling Point: 459.4°C at 760 mmHg
Flash Point: 245.7°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 54.37000
LogP: 2.54470
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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    2-Benzoylbenzeneacetic acid

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Chemistry

Molecule structure of (o-Benzoylphenyl)acetic acid (CAS NO.23107-96-2):

IUPAC Name: 2-(2-Benzoylphenyl)acetic acid 
Molecular Weight: 240.25398 g/mol
Molecular Formula: C15H12O3
Density: 1.232 g/cm3 
Boiling Point: 459.4 °C at 760 mmHg 
Flash Point: 245.7 °C
Index of Refraction: 1.605
Molar Refractivity: 67.15 cm3
Molar Volume: 194.9 cm3
Polarizability: 26.62×10-24 cm3
Surface Tension: 52.6 dyne/cm
Enthalpy of Vaporization: 75.85 kJ/mol
Vapour Pressure: 3.11E-09 mmHg at 25 °C 
XLogP3-AA: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 240.078644
MonoIsotopic Mass: 240.078644
Topological Polar Surface Area: 54.4
Heavy Atom Count: 18
Complexity: 305
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2CC(=O)O
InChI: InChI=1S/C15H12O3/c16-14(17)10-12-8-4-5-9-13(12)15(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey of (o-Benzoylphenyl)acetic acid (CAS NO.23107-96-2): RWOPZYIDUDXHIB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:2700 mg/kg

    EJMCA5    European Journal of Medicinal Chemistry. Chimie Therapeutique. 9 (1974),397.
2.    

ipr-mus LDLo:300 mg/kg

    EJMCA5    European Journal of Medicinal Chemistry. Chimie Therapeutique. 11 (1976),7.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 (o-Benzoylphenyl)acetic acid (CAS NO.23107-96-2) is also called 2-Benzoylbenzeneacetic acid ; 2-Benzoylphenylacetic acid ; 2-Bpaa ; 3-10-00-03313 (Beilstein Handbook Reference) ; Acide benzoyl-2 phenyl acetique ; Acide benzoyl-2 phenyl acetique [French] ; BRN 2374377 ; F 1211 ; RU 5045 ; Acetic acid, (o-benzoylphenyl)- (8CI) ; Acetic acid, 2-benzoylphenyl- ; Benzeneacetic acid, 2-benzoyl- (9CI) .