CAS 365-12-8 2'-Fluoro-biphenyl-4-carboxylic acid (HCID 715022)

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Basic information

CAS: 365-12-8
Standard SMILES: O=C(O)c1ccc(-c2ccccc2F)cc1
InChIKey: SLKZDWAZOKIEEU-UHFFFAOYSA-N
Molecular formula: C13H9FO2
Average molar mass: 216.21 g/mol
Monoisotopic mass: 216.05865769

Names & identifiers

Preferred name: 2'-Fluoro-biphenyl-4-carboxylic acid
IUPAC: 4-(2-fluorophenyl)benzoic acid
English name: 2'-Fluorobiphenyl-4-carboxylic acid
Molecular formula: C13H9FO2
Molecular weight: 216.21

Names & synonyms

2'-Fluoro-biphenyl-4-carboxylic acidRefChem:439661672-167-3365-12-82'-fluorobiphenyl-4-carboxylic acid4-(2-fluorophenyl)benzoic acid2'-Fluoro-[1,1'-biphenyl]-4-carboxylic acid2'-fluoro[1,1'-biphenyl]-4-carboxylic acidMFCD002787322'-fluoro-4-biphenylcarboxylic acid2'-Fluoro-1,1'-biphenyl-4-carboxylic acidMaybridge3_006504

Show more names

AKOS B025018AKOS BAR-0161RARECHEM AL BE 1363ART-CHEM-BB B0250184-(2-fluorophenyl)benzoate2’-Fluorobiphenyl-4-carboxylic Acid2'-Fluorobiphenyl-4-carboxylicacid,97%

Oprea1_091449SCHEMBL412227CHEMBL3324194-(2-fluorophenyl)-benzoic acidDTXSID70351950SLKZDWAZOKIEEU-UHFFFAOYSA-NHMS1449H142\'-Fluorobiphenyl-4-carboxylic acid

Database identifiers

CAS: 365-12-8
PubChem CID: 715022
DTXSID: DTXSID70351950
ChEMBL: CHEMBL332419
EC Number: 672-167-3

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 246

Physicochemical properties

Melting point: 230 · 230-232℃
Boiling point: 363.9 · 363.9±25.0 °C(Predicted)
Density: 1.261 · 1.261±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 4.03 · 4.03±0.10(Predicted)
CAS DataBase Reference: 365 · 365-12-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

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.