Basic information
- CAS
2022-67-5- Standard SMILES
CC(C)c1ccccc1F- InChIKey
ICTCCOUARBGHFR-UHFFFAOYSA-N- Molecular formula
- C9H11F
- Average molar mass
- 138.18 g/mol
- Monoisotopic mass
- 138.08447851
Names & identifiers
- Preferred name
- 2-Isopropylfluorobenzene
- IUPAC
- 1-fluoro-2-propan-2-ylbenzene
- English name
- 2-FLUOROCUMENE
- Molecular formula
- C9H11F
- Molecular weight
- 138.18
Names & synonyms
2022-67-52-IsopropylfluorobenzeneDTXSID30174066RefChem:262355DTXCID10965572-Fluorocumene1-fluoro-2-(propan-2-yl)benzeneBenzene, 1-fluoro-2-(1-methylethyl)-1-fluoro-2-propan-2-ylbenzeneMFCD00042556isopropylfluorobenzeneSCHEMBL84442
Show more names
Fluorocumene1-fluoro-2-propan-2-yl-benzene
1-fluoro-2-isopropyl-benzeneSCHEMBL1004400SCHEMBL1028713SCHEMBL2139424SCHEMBL2267523SCHEMBL3146884SCHEMBL3608275SCHEMBL14127160
Database identifiers
- CAS
2022-67-5- PubChem CID
- 137283
- DTXSID
DTXSID30174066- Nikkaji
- J567.255D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 98.9
Physicochemical properties
- Boiling point
- 148 · 148-150 °C
- Density
- 0.9629 g/cm3 · 0.9629 g/cm3
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · 1993
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1993
- risk_code
- 10
- safety_code
- 16
Chemistry & industry
Suppliers4 total
Carbone Scientific CO., LTD[email protected]
A.J Chemicals[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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