1-Fluoro-4-(1-methylethenyl)benzene

Inquiry

Molecular Formula:

C9H9F

Molecular Weight:

136.17

CAS Number:

350-40-3

Catalog Number:

350-40-3

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

Canonical 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

162.8ºC at 760 mmHg

Flash Point

56 ℃ (C.C)

Purity

95%

Density

1.009

Appearance

clear slightly yellow clear liquid

Storage

2-8ºC

Refractive Index

1.5110

Safety Information

Hazards

H226:
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.

Signal Word

Warning

Computed Properties

XLogP3

3.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

136.068828449 g/mol

Monoisotopic Mass

136.068828449 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

121

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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