4-Fluorocumene
Basic information
- CAS
403-39-4- Standard SMILES
CC(C)c1ccc(F)cc1- InChIKey
XZISOEPNTDOUEA-UHFFFAOYSA-N- Molecular formula
- C9H11F
- Average molar mass
- 138.18 g/mol
- Monoisotopic mass
- 138.08447851
Names & identifiers
- Preferred name
- 4-Fluorocumene
- IUPAC
- 1-fluoro-4-propan-2-ylbenzene
- English name
- 1-fluoro-4-isopropylbenzene
- Molecular formula
- C9H11F
- Molecular weight
- 138.18
Names & synonyms
1-FLUORO-4-ISOPROPYLBENZENE403-39-4p-Fluorocumene4-fluorocumeneYBM64YYA8J1-fluoro-4-(1-methylethyl)benzeneBenzene, 1-fluoro-4-(1-methylethyl)-NSC 79875NSC-79875P-ISOPROPYLFLUOROBENZENEDTXSID501933104-FLUORO-1-ISOPROPYLBENZENE
Show more names
1-fluoro-4-propan-2-yl-benzene
RefChem:99014DTXCID601158014-Fluoroisopropylbenzene1-fluoro-4-propan-2-ylbenzeneMFCD000179691-fluoro-4-isopropyl-benzene1-fluoro-4-(propan-2-yl)benzeneNSC79875
Database identifiers
- CAS
403-39-4- PubChem CID
- 96559
- DTXSID
DTXSID50193310- UNII
- YBM64YYA8J
- EC Number
- 206-957-2
- Nikkaji
- J213.659G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H11F/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3
- InChIKey
- XZISOEPNTDOUEA-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=C(C(C)C)C=C1
- FDA UNII
- 64 YYA8J · YBM64YYA8J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1-fluoro-4-isopropylbenzene is a fluorine-substituted compound. It could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.
Suppliers
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Related reactions
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Compound notes
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