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716-76-7

Basic Information
CAS No.: 716-76-7
Name: 3-Biphenylcarboxylic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 716-76-7 (3-Biphenylcarboxylic acid)
Formula: C13H10O2
Molecular Weight: 198.221
Synonyms: 3-Biphenylcarboxylicacid (7CI,8CI);Benzoic acid, m-phenyl- (3CI);1-Carboxy-3-phenylbenzene;3-Phenylbenzoic acid;NSC 178898;NSC 408030;m-Phenylbenzoic acid;
EINECS: 211-938-7
Density: 1.185 g/cm3
Melting Point: 164-169 °C
Boiling Point: 392.2 °C at 760 mmHg
Flash Point: 177.3 °C
Solubility: insoluble in water
Appearance: off-white to beige crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 37.30000
LogP: 3.05180
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Chemistry

 The Molecular Structure of 3-Biphenylcarboxylic acid (CAS NO.716-76-7):

Molecular Formula: C13H10O2
Molecular Weight: 198.217300 g/mol
IUPAC: 3-phenylbenzoic acid
Appearance: off-white to beige crystalline powder
Nominal Mass: 198 Da
Average Mass: 198.2173 Da
Monoisotopic Mass: 198.06808 Da 
Index of Refraction: 1.607
Molar Refractivity: 57.77 cm3
Molar Volume: 167.2 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.185 g/cm3
Flash Point: 177.3 °C
Enthalpy of Vaporization: 67.7 kJ/mol 
Melting Point: 164-169 °C
Water Solubility: Insoluble
Boiling Point: 392.2 °C at 760 mmHg
Vapour Pressure: 7.47E-07 mmHg at 25°C 
InChI
InChI=1/C13H10O2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H,14,15)
Smiles
c1(c2ccccc2)cc(ccc1)C(O)=O

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 389, 1955.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RTECS: TY3100000
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 3-Biphenylcarboxylic acid (CAS NO.716-76-7) is also called as Biphenyl-3-carboxylic acid ; 4-09-00-02478 (Beilstein Handbook Reference) ; BRN 1868625 ; Diphenyl-3-carboxylic acid ; NSC 178898 ; NSC 408030 ; 3-Biphenylcarboxylic acid .