3-Chlorostyrene
Product Information
Molecular Formula
C8H7Cl
Molecular Weight
138.59
Description
3-Chlorostyrene (CAS# 2039-85-2) is a useful research chemical.
Synonyms
1-chloro-3-ethenylbenzene; 1-chloro-3-ethenylbenzene
IUPAC Name
1-chloro-3-ethenylbenzene
SMILES
C=CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
Boiling Point
87 °C / 25 mmHg
Flash Point
63 °C
Purity
> 98.0 % (GC)
Density
1.09 g/mL at 25 °C (lit.)
Solubility
Insol in water
Appearance
Colorless to almost colorless clear liquid
Storage
0-10 °C
Refractive Index
n20/D 1.562 (lit.)
LogP
2.98300
Vapor Pressure
0.98 [mmHg]
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word
Warning
Computed Properties
XLogP3
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
138.0236279 g/mol
Monoisotopic Mass
138.0236279 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
98.7
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 |
|---|---|---|
| JP-2022040139-A | Polishing liquid, polishing liquid set and polishing method | 2021-12-17 |
| CN-113621099-A | Fluorescent microsphere and preparation method and application thereof | 2021-08-25 |
| CN-113683576-A | Isocyanurate, preparation method thereof and application thereof in high-frequency and high-speed resin | 2021-08-24 |
| CN-113582915-A | Synthesis method of 4-substituted pyridine compound | 2021-07-25 |
| KR-102364956-B1 | Prefabricated panels for thermal insulation | 2021-07-15 |
| CN-113402492-A | Fluorescent probe and preparation method and application thereof | 2021-06-30 |
| CN-113402551-A | Vinyl functionalized phosphine ligand, preparation and application thereof | 2021-05-28 |
| CN-113307749-A | Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative | 2021-05-26 |
| JP-2022039942-A | Pneumatic tires | 2021-04-28 |
| JP-2022024983-A | Pneumatic tires | 2021-03-11 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22258641 | 2012-10-01 | Expression and characterization of styrene monooxygenases of Rhodococcus sp. ST-5 and ST-10 for synthesizing enantiopure (S)-epoxides | Applied microbiology and biotechnology |
| 21567268 | 2011-08-01 | Role of residue 87 in substrate selectivity and regioselectivity of drug-metabolizing cytochrome P450 CYP102A1 M11 | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
| 19804982 | 2009-11-01 | Synthesis and in vitro evaluation of pteridine analogues as monoamine oxidase B and nitric oxide synthase inhibitors | Bioorganic & medicinal chemistry |
| 11718725 | 2001-11-16 | Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation | FEBS letters |
| 11312973 | 2001-02-23 | Synthesis of 2,3-dihydroindoles, indoles, and anilines by transition metal-free amination of aryl chlorides | The Journal of organic chemistry |
