3-Biphenylcarboxylic acid

Names

[ CAS No. ]:
716-76-7

[ Name ]:
3-Biphenylcarboxylic acid

[Synonym ]:
3-Biphenylcarboxylic acid
Biphenyl-3-carboxylic acid
3-phenylbenzoic acid
MFCD00045846
EINECS 211-938-7
[1,1'-Biphenyl]-3-carboxylic acid

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
392.2±21.0 °C at 760 mmHg

[ Melting Point ]:
164-169 °C

[ Molecular Formula ]:
C₁₃H₁₀O₂

[ Molecular Weight ]:
198.217

[ Flash Point ]:
177.3±16.7 °C

[ Exact Mass ]:
198.068085

[ PSA ]:
37.30000

[ LogP ]:
3.84

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.607

[ Water Solubility ]:
Insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DV1925000

CHEMICAL NAME :: 3-Biphenylcarboxylic acid

CAS REGISTRY NUMBER :: 716-76-7

BEILSTEIN REFERENCE NO. :: 1868625

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H10-O2

MOLECULAR WEIGHT :: 198.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,389,1955

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
UN 3077 9 / PGIII

[ RTECS ]:
TY3100000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

QVR CE
Phenylboronic acid
3-Chlorobenzoic Acid
3-Iodobenzoic acid
Sodium tetraphenylborate
Phenyllithium
Biphenyl
carbon monoxide
diethoxy phenyl boronate

DownStream

BIPHENYL-3-CARBONYLCHLORIDE
4-Biphenylcarboxylic acid
[1,1'-Biphenyl]-3-ylmethanol
4-Methoxybiphenyl
Isophthalic acid
BIPHENYL-3-YL(PHENYL)METHANONE
BIPHENYL-3-CARBOXYLIC ACID ETHYL ESTER
1,1'-BIPHENYL]-3-CARBONITRILE
4'-NITRO-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID
3-(4-aminophenyl)benzoic acid

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Biphenyl-3-carboxylic acid at 296 and 203 K.

Acta Crystallogr. C 52 ( Pt 9) , 2320-3, (1996)

In biphenyl-3-carboxylic acid, C13H10O2, hydrogen bonding is of the cyclic-dimer type about a center of symmetry. The carboxyl H atom is ordered. The dihedral angle between the planar phenyl rings is ...