1,3-DIISOPROPENYLBENZENE
Product Information
Molecular Formula
C12H14
Molecular Weight
158.24
Description
1,3-DIISOPROPENYLBENZENE is a remarkably intriguing and promising chemical compound that holds immense significance within the realm of biomedicine. It exhibits extraordinary anti-tumor capabilities, especially against breast and lung cancer.
Synonyms
1,3-bis(1-methylethenyl)-benzen; 1,3-bis(1-methylethenyl)benzene; 1,3-bis(1-methylethenyl)-Benzene; Benzene, m-diisopropenyl-; m-Bis(1-methylvinyl)benzene; m-diisopropenyl-benzen; m-dipeb; M-DIISOPROPENYL BENZENE
IUPAC Name
1,3-bis(prop-1-en-2-yl)benzene
SMILES
CC(=C)C1=CC(=CC=C1)C(=C)C
InChI
InChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3
InChI Key
IBVPVTPPYGGAEL-UHFFFAOYSA-N
Boiling Point
231 °C
Melting Point
-40 °C
Flash Point
93 °C
Purity
>97.0%(GC)
Density
0.925
Appearance
Colorless to Light yellow to Light orange clear liquid
Application
Used as an intermediate for other basic chemicals, diisocyanate monomers, and optical products.
Storage
0-10°C
Vapor Pressure
0.16 [mmHg]
Safety Information
Hazards
H319:
Causes serious eye irritation.
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Computed Properties
XLogP3
4.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
158.109550447 g/mol
Monoisotopic Mass
158.109550447 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
168
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-113929909-A | Method for preparing sulfur-rich polymer at room temperature by mechanochemical-induced reverse vulcanization reaction | 2021-11-05 |
| CN-113996272-A | Molecularly imprinted polymer and preparation method and application thereof | 2021-10-13 |
| CN-113871708-A | Solid electrolyte and application thereof | 2021-09-26 |
| CN-113336960-A | Preparation method of supermolecular polymer with super-strong adhesive property in water | 2021-06-18 |
| CN-113234422-A | High-molecular composite thermal interface material and preparation method thereof | 2021-05-31 |
| CN-113308237-A | High-strength propping agent for fracturing and preparation method thereof | 2021-04-21 |
| CN-113337266-A | Fracturing fluid system for enhancing pressure bearing capacity of proppant and application method thereof | 2021-04-21 |
| CN-113061263-A | Preparation method of photocrosslinking dynamic reversible supramolecular polymer adhesive based on lipoic acid micromolecular compound | 2021-04-06 |
| CN-113061263-B | Preparation method of photocrosslinking dynamic reversible supramolecular polymer adhesive based on lipoic acid micromolecular compound | 2021-04-06 |
| CN-112831047-A | Method for preparing sulfur-containing polymer by photocatalytic reverse vulcanization at room temperature | 2021-03-18 |
