Basic information
- CAS
29114-66-7- Standard SMILES
CCCCC(=O)c1ccc(F)cc1- InChIKey
HBJRRAMFTUDWMQ-UHFFFAOYSA-N- Molecular formula
- C11H13FO
- Average molar mass
- 180.22 g/mol
- Monoisotopic mass
- 180.0950432
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)pentan-1-one
- IUPAC
- 1-(4-fluorophenyl)pentan-1-one
- English name
- 1-(4-FLUORO-PHENYL)-PENTAN-1-ONE
- Molecular formula
- C11H13FO
- Molecular weight
- 180.22
Names & synonyms
1-(4-Fluorophenyl)pentan-1-oneEINECS 211-907-8DTXSID60951706NSC 88288RefChem:425627DTXCID901379817211-907-8709-24-04'-Fluorovalerophenonep-Fluorovalerophenone4-Fluorovalerophenone1-(4-Fluorophenyl)-1-pentanone
Show more names
1-(4-Fluoro-phenyl)-pentan-1-one1-Pentanone, 1-(4-fluorophenyl)-MFCD00017968CHEMBL4437571-Pentanoyl-4-fluorobenzenep-Fluorovalerophenone; 1-(4-Fluorophenyl)-1-pentanone; NSC 88288NSC882884'-Fluorpentiophenon
Database identifiers
- CAS
29114-66-7、709-24-0- PubChem CID
- 69729
- DTXSID
DTXSID60951706- ChEMBL
CHEMBL443757- EC Number
- 211-907-8
- Nikkaji
- J193.078H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 27 °C · 27 °C
- Boiling point
- 86 · 86-90 °C(Press: 1.3 Torr)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Hexanes (Slightly)
- form
- Low-Melting Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · 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
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses4''-Fluorovalerophenone (CAS:709-24-0) is a useful research compound.
Suppliers30 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Junwee Chemical co., Ltd.+86-571-85808636 +86-13958122542 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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