1-(4-Fluorophenyl)cyclobutanecarboxylic acid

HCID 16769017

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Basic information

CAS: 151157-46-9
Standard SMILES: O=C(O)C1(c2ccc(F)cc2)CCC1
InChIKey: DLRUUSGLTWPTQG-UHFFFAOYSA-N
Molecular formula: C11H11FO2
Average molar mass: 194.2 g/mol
Monoisotopic mass: 194.07430775

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)cyclobutanecarboxylic acid
IUPAC: 1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
English name: 1-(4-Fluorophenyl)cyclobutanecarboxylic acid
Molecular formula: C11H11FO2
Molecular weight: 194.2

Names & synonyms

1-(4-fluorophenyl)cyclobutanecarboxylic acidRefChem:425614808-625-8151157-46-91-(4-Fluorophenyl)cyclobutane-1-carboxylic acidMFCD084421591-(4-fluorophenyl)cyclobutanecarboxylicacidSCHEMBL988946DTXSID90588105DLRUUSGLTWPTQG-UHFFFAOYSA-NSBB077929AKOS000124851

Show more names

CYCLOBUTANECARBOXYLIC ACID,1-(4-FLUOROPHENYL)-1-(4-Fluorophenyl)cyclobutane-1-carboxylic acid - [F93371]

AB45226DA-30984SY104465TS-02757CS-0132702EN300-28289F064454Z235348067

Database identifiers

CAS: 151157-46-9
PubChem CID: 16769017
DTXSID: DTXSID90588105
EC Number: 808-625-8

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 227

Physicochemical properties

Boiling point: 318.7 · 318.7±35.0 °C(Predicted)
Density: 1.294 · 1.294±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.36 · 4.36±0.20(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.