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