6-(4-Fluorophenyl)hexanoic acid
Basic information
- CAS
89326-72-7- Standard SMILES
O=C(O)CCCCCc1ccc(F)cc1- InChIKey
CDSLZCNLWIKHJH-UHFFFAOYSA-N- Molecular formula
- C12H15FO2
- Average molar mass
- 210.24 g/mol
- Monoisotopic mass
- 210.10560788
Names & identifiers
- Preferred name
- 6-(4-Fluorophenyl)hexanoic acid
- IUPAC
- 6-(4-fluorophenyl)hexanoic acid
- English name
- Benzenehexanoic acid, 4-fluoro-
- Molecular formula
- C12H15FO2
- Molecular weight
- 210.2447032
Names & synonyms
6-(4-fluorophenyl)hexanoic acid89326-72-7Benzenehexanoic acid, 4-fluoro-6-(4-fluorophenyl)hexanoicacidSCHEMBL2489624DTXSID80563466CDSLZCNLWIKHJH-UHFFFAOYSA-NPDA32672AKOS009481847CS-0235145EN300-153308G54643
Show more names
Z424791162
Database identifiers
- CAS
89326-72-7- PubChem CID
- 14739735
- DTXSID
DTXSID80563466- EC Number
- 185-688-1
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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