4-Chloro-α-methylstyrene
Product Information
Molecular Formula
C9H9Cl
Molecular Weight
152.62
Description
4-Chloro-α-methylstyrene is an essential compound used in biomedicine. It plays a significant role in the treatment of various diseases as an intermediate in the synthesis of pharmaceuticals. With its unique chemical properties, it finds application in the development of drugs targeting inflammation, cancer, and autoimmune disorders.
Synonyms
P-CHLORO-ALPHA-METHYLSTYRENE; 1-Chloro-4-isopropenylbenzene; Benzene, 1-chloro-4-(1-methylethenyl)-; 2-(4-CHLOROPHENYL)PROPENE; 4-CHLORO-ALPHA-METHYLSTYRENE; 4-CHLORO-A-METHYLSTYRENE
IUPAC Name
1-chloro-4-prop-1-en-2-ylbenzene
SMILES
CC(=C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
InChI Key
WQDGTJOEMPEHHL-UHFFFAOYSA-N
Boiling Point
205-207°C
Melting Point
3.5°C
Flash Point
73 °C
Purity
95%
Density
1.075
Appearance
clear colorless to pale yellow liquid
Storage
0-6°C
Safety Information
Hazards
H411:
Toxic to aquatic life with long-lasting effects.
Toxic to aquatic life with long-lasting effects.
Precautionary Statement
P273:
Avoid release to the environment.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Avoid release to the environment.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
4.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
152.0392780 g/mol
Monoisotopic Mass
152.0392780 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
