2'-Methyl-biphenyl-3-carboxylic acid
Grundinformationen
- CAS
168618-44-8- Standard-SMILES
Cc1ccccc1-c1cccc(C(=O)O)c1- InChIKey
IAZJDWZUCUHVPQ-UHFFFAOYSA-N- Summenformel
- C14H12O2
- Durchschnittliche Molmasse
- 212,24 g/mol
- Monoisotopische Masse
- 212,08372962
Namen und Bezeichner
- Bevorzugter Name
- 2'-Methyl-biphenyl-3-carboxylic acid
- IUPAC
- 3-(2-methylphenyl)benzoic acid
- Englischer Name
- 2'-Methylbiphenyl-3-carboxylic acid
- Summenformel
- C14H12O2
- Molmasse
- 212.24
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
168618-44-8- PubChem CID
- 2759814
- DTXSID
DTXSID80374918- ChEMBL
CHEMBL4162514- EC Number
- 672-102-9
- Nikkaji
- J2.207.319B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 249
Physikochemische Eigenschaften
- storage temp.
- 2 · 2-8°C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 2916399090
- risk_code
- 22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
Chemie und Industrie
Anwendungen
Verwenden2''-Methylbiphenyl-3-carboxylic Acid is a reagent used in Suzuki-Miyaura reaction of aryl and heteroaryl halides with aryl(heteroaryl)boronic acids in water using palladium-EDTA catalyst.
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