CAS 7148-03-0 2-(4-Methylphenyl)benzoic acid (HCID 81568)

Names & identifiers

Preferred name: 2-(4-Methylphenyl)benzoic acid
IUPAC: 2-(4-methylphenyl)benzoic acid
English name: 4'-Methylbiphenyl-2-carboxylic acid
Molecular formula: C14H12O2
Molecular weight: 212.24

Names & synonyms

7148-03-02-(4-Methylphenyl)benzoic acid2-(p-Tolyl)benzoic Acid4'-Methyl-2-biphenylcarboxylic acid[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-2-Biphenylcarboxylic acid, 4'-methyl-9XZ5ON5Y1PBenzoic acid, 2-(4-methylphenyl)-4'-methyl[1,1'-biphenyl]-2-carboxylic acidBiphenyl-2-carboxylic acid, 4'-methyl-EINECS 230-462-0NSC 26069

Show more names

AKOS BAR-0260RARECHEM AL BO 0764o-Tolylbenzoic acid4′-Methyl-2-biphenylTelmisartan Impurity 324'-Methyl-2-carboxybiphenyl2-(4-mehtylphenyl)benzoic acid

NSC-26069(1,1'-Biphenyl)-2-carboxylic acid, 4'-methyl-DTXSID20645734'-Methyl(1,1'-biphenyl)-2-carboxylic acid4-methyl-2'-biphenylcarboxylic acid2-CARBOXY-4'-METHYLBIPHENYL4'-METHYL-2-BIPHENYLYLCARBOXYLIC ACIDRefChem:458130

Database identifiers

CAS: 7148-03-0
PubChem CID: 81568
DTXSID: DTXSID2064573
UNII: 9XZ5ON5Y1P
EC Number: 230-462-0
Nikkaji: J227.398E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 146 · 146-148°C
Boiling point: 354.5 · 354.5±11.0 °C(Predicted)
Density: 1.156 · 1.156±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO, Methanol
form: Solid
pka: 3.9 · 3.90±0.36(Predicted)
color: White
InChI: InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey: ZSTUEICKYWFYIC-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(C)C=C2)=CC=CC=C1C(O)=O
CAS DataBase Reference: 7148 · 7148-03-0(CAS DataBase Reference)
FDA UNII: 9 XZ5ON5Y1P · 9XZ5ON5Y1P
EPA Substance Registry System: 1 · [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl- (7148-03-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29163990 · 29163990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: [1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information[1,1'-Biphenyl]-2-carboxylic acid, 4'-methyl-: INACTIVE

Applications · 2 items

Uses4’-Methylbiphenyl-2-carboxylic Acid is used in the synthesis of angiotensin II receptor antagonists used as potent orally active antihypertensives.

General Description4′-Methyl-2-biphenylcarboxylic acid (4′-Methyl-bi-phenyl-2-carboxyl-ic acid) can be synthesized by reacting 4′-methylbiphenyl-2-carbonitrile with methanol and 30% NaOH solution. Its crystal structure has been characterized by the centrosymmetric hydrogen-bonded dimers.