1-Fluoro-4-(1-methylethenyl)benzene
Product Information
Molecular Formula
C9H9F
Molecular Weight
136.17
Description
1-Fluoro-4-(1-methylethenyl)benzene is a key compound utilized in the biomedical industry. With its unique chemical structure, this product finds applications in the synthesis of pharmaceutical drugs targeting diverse diseases. Its fluorine substitution and isopropenyl group enable it to modulate molecular interactions and enhance pharmacological properties, making it an essential component in drug development and discovery.
Synonyms
1-Fluoro-4-(1-methylethenyl)benzene; 4-Fluoro-alpha-methylstyrene; 2-(4-Fluorophenyl)prop-1-ene
IUPAC Name
1-fluoro-4-prop-1-en-2-ylbenzene
SMILES
CC(=C)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H9F/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
InChI Key
VIXHMBLBLJSGIB-UHFFFAOYSA-N
Boiling Point
162.8°C at 760 mmHg
Flash Point
56 °C (C.C)
Purity
95%
Density
1.009
Appearance
clear slightly yellow clear liquid
Storage
2-8°C
Refractive Index
1.5110
Safety Information
Hazards
H226:
Flammable liquid and vapour.
Flammable liquid and vapour.
Precautionary Statement
P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P370+P378:
In case of fire:
Use for extinction:
P403+P235:
Store in a well ventilated place.
Keep cool.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P370+P378:
In case of fire:
Use for extinction:
P403+P235:
Store in a well ventilated place.
Keep cool.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Signal Word
Warning
Computed Properties
XLogP3
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
136.068828449 g/mol
Monoisotopic Mass
136.068828449 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
121
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113956395-A | Polymer resin and preparation method thereof, electron beam photoresist and preparation and use methods thereof | 2021-10-27 |
| CN-113620791-A | Method for preparing carbonyl compound by catalyzing oxidative fracture of olefin compound through visible light excited aqueous solution quantum dots | 2021-09-07 |
| CN-113773433-A | Polymer resin and preparation method thereof, method for improving cracking of electron beam photoresist, electron beam photoresist and preparation and use thereof | 2021-09-03 |
| CN-113061631-A | Isochroman derivative and enzymatic synthesis method and application thereof | 2021-03-31 |
| WO-2022055086-A1 | All-solid-state battery | 2020-09-09 |
| WO-2021241378-A1 | Curable resin composition, molded article and method for producing same | 2020-05-27 |
| JP-2021134205-A | Method for producing fluorine-containing compound | 2020-02-26 |
| JP-2021116301-A | Method for producing fluorine-containing compound | 2020-01-23 |
| WO-2021145343-A1 | Copolymer, positive resist composition, and method for forming resist pattern | 2020-01-17 |
| TW-202136339-A | Copolymer and positive photoresist composition and photoresist pattern forming method | 2020-01-17 |
