4'-Iodobiphenyl-4-carboxylic acid

HCID 816730CAS 5731-12-4

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc(-c2ccc(I)cc2)cc1
InChIKey: YQOGNSIRIUEMTE-UHFFFAOYSA-N
Summenformel: C13H9IO2
Durchschnittliche Molmasse: 324,11 g/mol
Monoisotopische Masse: 323,96473

Namen und Bezeichner

Bevorzugter Name: 4'-Iodobiphenyl-4-carboxylic acid
IUPAC: 4-(4-iodophenyl)benzoic acid
Englischer Name: 4'-iodo-4-biphenylcarboxylic acid
Summenformel: C13H9IO2
Molmasse: 324.11383

Namen und Synonyme

5731-12-44'-iodobiphenyl-4-carboxylic acidRefChem:506153690-488-74-(4-iodophenyl)benzoic acid4'-iodo-[1,1'-biphenyl]-4-carboxylic acid4'-iodo-4-biphenylcarboxylic acidMFCD004542554'-iodo[1,1'-biphenyl]-4-carboxylic acidOprea1_707754AA-516/30054022SCHEMBL1972646

Weitere Namen anzeigen

4'-iodo-4-biphenylcarboxylic aci

4-(4'-iodophenyl)benzoic acidYQOGNSIRIUEMTE-UHFFFAOYSA-N4-iodo-4'-biphenylcarboxylic acidAC-31752SY391809H824524 inverted exclamation marka-Iodo-4-biphenylcarboxylic acid

Datenbank-Bezeichner

CAS: 5731-12-4
PubChem CID: 816730
EC Number: 690-488-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 238

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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.