p-Chlorostyrene
Product Information
Molecular Formula
C8H7Cl
Molecular Weight
138.59418
Description
4-Chlorostyrene was used in the following studies:• Study of chemical and biochemical properties of the vinyl group of styrene by the development of structure activity relationships (SAR). • Preparation of new bis(pyrazolyl)borato olefin complexes of copper(I).• To investigate the regioselectivity in the cationic Heck reaction of 4-substituted styrenes.
Synonyms
4-Chlorostyrene; 1073-67-2; P-CHLOROSTYRENE; 1-Chloro-4-vinylbenzene; Styrene,p-chloro-; Parachlorostyrene
IUPAC Name
1-chloro-4-ethenylbenzene
SMILES
C=CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
Boiling Point
192°C
Melting Point
-16°C
Flash Point
64 °C
Purity
95%
Density
1.155
Solubility
Insol in water
Appearance
Clear, colorless liquid.
Application
Used to make polychlorostyrene.
Storage
2-8°C
Refractive Index
1.5645-1.5665
Vapor Pressure
0.81 [mmHg]
Decomposition
When heated to decomposition, it emits /hydrogen chloride. /Chlorostyrene/
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
Computed Properties
XLogP3
3.7
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
90.7
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 |
|---|---|---|
| WO-2021125132-A1 | Carbamoyl oxime compound, and polymerization initiator and polymerizable composition containing said compound | 2019-12-20 |
| EP-3835330-A1 | Aqueous dispersion of polymer particles and uses thereof as an adhesive composition | 2019-12-13 |
| US-2021181647-A1 | Toner and two component developer | 2019-12-13 |
| WO-2021116415-A1 | Aqueous dispersion of polymer particles and uses thereof as an adhesive composition | 2019-12-13 |
| WO-2021117723-A1 | Block copolymer, resin composition, stretch conductor, electronic device, and pressure-sensitive adhesive film | 2019-12-13 |
| WO-2021115978-A1 | Polymer latex for use in construction applications | 2019-12-10 |
| WO-2021117637-A1 | Method for producing styrene-based resin particles, styrene-based resin particles, resin compositions for low-dielectric material, and molded object | 2019-12-10 |
| WO-2021117537-A1 | Member for fogging prevention, suppression of water droplet adhesion, suppression of icing, or suppression of ice nucleus formation | 2019-12-09 |
| WO-2021117538-A1 | Material and sliding system | 2019-12-09 |
| EP-3831617-A1 | Tread | 2019-12-05 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22366341 | 2012-05-05 | Structure-toxicity relationship study of para-halogenated styrene analogues in CYP2E1 transgenic cells | Toxicology letters |
| 21619852 | 2011-02-01 | [Determination of o-chlorostyrene in the air of workplace by gas chromatography] | Zhonghua lao dong wei sheng zhi ye bing za zhi = Zhonghua laodong weisheng zhiyebing zazhi = Chinese journal of industrial hygiene and occupational diseases |
| 20199059 | 2010-04-02 | Heterogeneous allylsilylation of aromatic and aliphatic alkenes catalyzed by proton-exchanged montmorillonite | Organic letters |
| 18220391 | 2008-02-20 | Bimetallic effects in homopolymerization of styrene and copolymerization of ethylene and styrenic comonomers: scope, kinetics, and mechanism | Journal of the American Chemical Society |
| 16855758 | 2006-08-07 | Synthesis, characterization and olefin/CO exchange reactions of pyrazolylborato complexes of copper(I) | Dalton transactions (Cambridge, England : 2003) |
| 16416502 | 2006-02-08 | Manganese-substituted carbonic anhydrase as a new peroxidase | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 15592614 | 2004-12-21 | Catalytic asymmetric heterogeneous aziridination of styrene derivatives using bis(oxazoline)-modified Cu2+-exchanged zeolite Y | Organic & biomolecular chemistry |
| 15600387 | 2004-10-01 | Crystal-like pattern formation in polymerization-induced phase separation | Physical review. E, Statistical, nonlinear, and soft matter physics |
| 12919018 | 2003-08-22 | A cyclodextrin-modified ketoester for stereoselective epoxidation of alkenes | The Journal of organic chemistry |
| 11341314 | 2001-04-01 | Biotransformations catalyzed by cloned p-cymene monooxygenase from Pseudomonas putida F1 | Applied microbiology and biotechnology |
