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Basic information
- CAS
350-40-3- Standard SMILES
C=C(C)c1ccc(F)cc1- InChIKey
VIXHMBLBLJSGIB-UHFFFAOYSA-N- Molecular formula
- C9H9F
- Average molar mass
- 136.17 g/mol
- Monoisotopic mass
- 136.06882851
Names & identifiers
- Preferred name
- 1-Fluoro-4-(isopropenyl)benzene
- IUPAC
- 1-fluoro-4-prop-1-en-2-ylbenzene
- English name
- 1-Fluoro-4-(1-methylethenyl)benzene
- Molecular formula
- C9H9F
- Molecular weight
- 136.17
Names & synonyms
1-Fluoro-4-(isopropenyl)benzeneEINECS 206-501-2NSC 74474DTXSID80188532RefChem:432823DTXCID40111023206-501-2350-40-34-Fluoro-alpha-methylstyrene1-Fluoro-4-(1-methylethenyl)benzene1-fluoro-4-(prop-1-en-2-yl)benzene2-(4-Fluorophenyl)-1-propene
Show more names
4-Fluoro-α4-fluoro-methylstyreneFluoroalphamethylstyrene4-fluoro-à-methylstyrene-oxo-benzeneacetaldehyde4-Fluoro-α-methylstyrenep-Fluoro-α-methylstyrene
2-(4-Fluorophenyl)propeneBenzene, 1-fluoro-4-(1-methylethenyl)-MFCD000422971-fluoro-4-isopropenyl-benzene1-Fluoro-4-isopropenylbenzene4-fluoro-a-methylstyrene1-fluoro-4-prop-1-en-2-ylbenzenealpha-Methyl-4-fluorostyrene
Database identifiers
- CAS
350-40-3- PubChem CID
- 67690
- DTXSID
DTXSID80188532- UNII
- 8TQ5TT8QWC
- EC Number
- 206-501-2
- Nikkaji
- J193.816I
Properties
Computed structural propertiesFilling in
- 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
- 121
Physicochemical properties
- Boiling point
- 183 °C · 183°C
- Density
- 1.01 g/mL · 1.01 g/mL at 20 °C(lit.)
- refractive index
- 1.5085 · 1.5085-1.5125
- Flash point
- 53 °C · 53 °C
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- soluble in Methanol
- form
- clear liquid
- color
- colorless to yellow/brown
- BRN
- 2039696 · 2039696
- InChI
- 1S/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
- InChIKey
- VIXHMBLBLJSGIB-UHFFFAOYSA-N
- SMILES
- CC(=C)c1ccc(F)cc1
- CAS DataBase Reference
- 350 · 350-40-3(CAS DataBase Reference)
- FDA UNII
- 8 TQ5TT8QWC · 8TQ5TT8QWC
- NIST Chemistry Reference
- 4 · 4-FC6H4C(CH3)=CH2(350-40-3)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2942000090
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- safety_code
- 16
- hazard_class
- 3
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
Chemistry & industry
Applications
Uses4-Fluoro-a-methylstyrene is used in the synthesis of Paroxetine (P205750), which is a selective serotonin reuptake inhibitor. Used as an antidepressant.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
8 records
Compound notes
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