4'-Iodobiphenyl-4-carboxylic acid

HCID 816730CAS 5731-12-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc(-c2ccc(I)cc2)cc1
InChIKey: YQOGNSIRIUEMTE-UHFFFAOYSA-N
Molecular formula: C13H9IO2
Average molar mass: 324.11 g/mol
Monoisotopic mass: 323.96473

Names & identifiers

Preferred name: 4'-Iodobiphenyl-4-carboxylic acid
IUPAC: 4-(4-iodophenyl)benzoic acid
English name: 4'-iodo-4-biphenylcarboxylic acid
Molecular formula: C13H9IO2
Molecular weight: 324.11383

Names & synonyms

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

Show more names

4'-iodo-4-biphenylcarboxylic aci

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 4.6
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: 238

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H335-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302-H335-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362