4-クロロスチレン

4-Chlorostyrene

HCID 14085CAS 1073-67-2

基本情報

標準SMILES
C=Cc1ccc(Cl)cc1
InChIKey
KTZVZZJJVJQZHV-UHFFFAOYSA-N
分子式
C8H7Cl
平均分子量
138.59 g/mol
単同位体質量
138.0236279

名称と識別子

優先名称
4-Chlorostyrene
IUPAC
1-chloro-4-ethenylbenzene
現地名
4-クロロスチレン
英語名
4-Chlorostyrene
分子式
C8H7Cl
分子量
138.59

名称と別名

4-Chlorostyrene1073-67-2P-CHLOROSTYRENEParachlorostyreneBenzene, 1-chloro-4-ethenyl-Styrene, p-chloro-Styrene, 4-chloro-T0J05U220FNSC-18603RefChem:98623214-028-81-Chloro-4-vinylbenzene
名称をさらに表示
4-クロロスチレン1-クロロ-4-エテニルベンゼン1-(p-クロロフェニル)エテン1-ビニル-4-クロロベンゼン4-ビニルフェニルクロリドp-クロロスチレン4-クロロ-1-ビニルベンゼン1-エテニル-4-クロロベンゼン1-クロロ-4-ビニルベンゼン(4-クロロフェニル)エテン4-クロロ-1-エテニルベンゼンpクロロスチレン4‐クロロスチレン4-Chlorostyrene, stabilized, 99%ARBA-020orostyrenep-ChlorstyrolCHLOROSTYRENE-4p-chloro-styren
1-chloro-4-ethenylbenzene24991-47-7poly(p-chlorostyrene)C8H7Clpara-chlorostyreneMFCD000006324-Chlorostyrene (stabilized with TBC)4-vinylphenyl chloride

データベース識別子

CAS
1073-67-2
PubChem CID
14085
DTXSID
DTXSID4061464
UNII
T0J05U220F
EC Number
214-028-8
Nikkaji
J2.125C

物性

構造計算による物性

XLogP
3.7
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
1
重原子数
9

実験および物理化学的性質

PolymersPlastics & Rubber -> Styrenes
SpringerMaterials PropertiesBoiling point
Density1.0868 @ 20 °C/4 °C
Solubility · 4 件

Insol in water

SOL IN BENZENE, PETROLEUM ETHER

Sol alcohol, ether, acetone

SOL IN CARBON TETRACHLORIDE

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point192 °C

物理化学的性質

融点
-16 °C · -16 °C
沸点
192 °C · 192 °C(lit.)
比重(密度)
1.155 g/mL · 1.155 g/mL at 25 °C(lit.)
蒸気圧
0.68 mm · 0.68 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.565(lit.)
闪点
140 °F · 140 °F
化学的性質 · 1 件

化学的特性clear colourless to slightly yellow liquid. The side chain of p-chlorostyrene is a C=C double bond, so its chemical properties are more active. The compound can polymerize slowly at room temperature, and a polymerization inhibitor (stabilizer) can be added for storage.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (18.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzene, 1-chloro-4-ethenyl-

Benzene, 1-chloro-4-ethenyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzene, 1-chloro-4-ethenyl-: Environment tier I assessment
Hazards SummaryAn irritant; [MSDSonline] See o-Chlorostyrene. See Styrene.
Toxic Combustion ProductsWhen heated to decomposition, it emits toxic fumes of /hydrogen chloride/. /Chlorostyrene/
Hazard Classes and CategoriesFlam. Liq. 3 (18.2%)

安全と保護具

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 840(SRC), determined from a structure estimation method(2), indicates that p-chlorostyrene is expected to have low mobility in soil(SRC). Volatilization of p-chlorostyrene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.1X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of p-chlorostyrene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 0.82 mm Hg(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 840(SRC), determined from a structure estimation method(2), indicates that p-chlorostyrene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a estimated Henry's Law constant of 2.1X10-3 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hrs and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 100(SRC), from an estimated log Kow of 3.54(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), p- chlorostyrene, which has a vapor pressure of 0.82 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase p-chlorostyrene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone(SRC); the half-lives for these reactions in air are estimated to be 14 and 13 hrs, respectively(SRC), calculated from rate constants of 2.8X10-11 and 2.1X10-17 cu cm/molecule-sec, respectively at 25 °C(SRC) derived using a structure estimation method(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc for p-chlorostyrene can be estimated to be 840(SRC). According to a classification scheme(2), this estimated Koc value suggests that p-chlorostyrene is expected to have low mobility in soil(SRC).

Artificial Pollution Sourcesp-Chlorostyrene's production and use in the manufacture of polychlorostyrene and polyesters(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationData regarding the biodegradation of p-chlorostyrene in either soil or aquatic systems were not available. (SRC)
Environmental Bioconcentration · 1 件

An estimated BCF of 100 was calculated for p-chlorostyrene(SRC), using an estimated log Kow of 3.54(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

安全データ

wgk
3
tsca
TSCA listed
rtecs
CZ0533000
ridadr
1993
毒性
LD50 orally in Rabbit: 5200 mg/kg
hs_code
29036990

化学と産業

用途と製造

Uses · 2 件

Used to make polychlorostyrene; [HSDB]

p-Chlorostyrene is used in the manufacture of polychlorostyrene which is a clear, colorless plastic with good foaming, heat distortion and flame-retardant properties.

Methods of Manufacturingp-Chlorostyrene is commercially produced as a monomer from p-chloroethylbenzene by an oxidation technique. p-Chlorostyrene is also produced as a mixture with o-chlorostyrene.
General Manufacturing InformationBenzene, 1-chloro-4-ethenyl-: ACTIVE
応用分野 · 3 件

用途試験研究用。

使用4-Chlorostyrene is used in the preparation of new bis(pyrazolyl)borato olefin complexes of copper(I). It is also employed in the investigation of regioselectivity in the cationic Heck reaction of 4-substituted styrenes. Further, it plays an important role in the preparation of 4-[(4-chloro-phenyl)-thioacetyl]-morpholine.

一般的な説明4-Chlorostyrene is a para-halogenated styrene derivative. It undergoes graft copolymerization with acrylonitrile (AN) onto ethylene-propylene-diene terpolymer (EPDM) in the presence of benzoyl peroxide (initiator).

調製方法

製造方法Synthesis of 4-chlorostyrene: carry out catalytic dehydration reaction by 4-chlorophenethylalcohol at 280°C, the used catalyst is a modified aluminum silicate catalyst, and the yield is 80%.

サプライヤー50 社

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関連反応

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