1-(4-Fluorophenyl)cyclohexane-1-carboxylic acid

HCID 736136

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Basic information

CAS: 214263-00-0
Standard SMILES: O=C(O)C1(c2ccc(F)cc2)CCCCC1
InChIKey: XQKPSVJXJIFYAU-UHFFFAOYSA-N
Molecular formula: C13H15FO2
Average molar mass: 222.25 g/mol
Monoisotopic mass: 222.10560794

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)cyclohexane-1-carboxylic acid
IUPAC: 1-(4-fluorophenyl)cyclohexane-1-carboxylic acid
English name: 1-(4-Fluorophenyl)cyclohexanecarboxylic acid, 98
Molecular formula: C13H15FO2
Molecular weight: 222.26

Names & synonyms

1-(4-fluorophenyl)cyclohexane-1-carboxylic AcidRefChem:425616836-263-0214263-00-01-(4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACIDMFCD00800627Cyclohexanecarboxylicacid, 1-(4-fluorophenyl)-Cyclohexanecarboxylic acid, 1-(4-fluorophenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxylicAcid1-(4-Fluorophenyl)cyclohexanecarboxylicacidSCHEMBL1807150DTXSID50352940

Show more names

1-(4-Fluorophenyl)cyclohexanecarboxylic acid, 981-(4-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID 98%

XQKPSVJXJIFYAU-UHFFFAOYSA-NSBB017030AKOS000345194AB90936NCGC00336482-01AS-37573SY180449CS-0063148

Database identifiers

CAS: 214263-00-0
PubChem CID: 736136
DTXSID: DTXSID50352940
EC Number: 836-263-0

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: 251

Physicochemical properties

Melting point: 136 °C · 136 °C
Density: 1.1041 · 1.1041 (estimate)
storage temp.: Store at room temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 29163900 · 29163900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29163900
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501