3-クロロスチレン

m-Chlorostyrene

HCID 14905CAS 2039-85-2

基本情報

標準SMILES
C=Cc1cccc(Cl)c1
InChIKey
BOVQCIDBZXNFEJ-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
m-Chlorostyrene
IUPAC
1-chloro-3-ethenylbenzene
現地名
3-クロロスチレン
英語名
3-Chlorostyrene
分子式
C8H7Cl
分子量
138.59

名称と別名

3-Chlorostyrene1-Chloro-3-vinylbenzeneM-CHLOROSTYRENEStyrene, 3-chloro-3-chlorophenylethene3-chlorovinylbenzeneUNII-11K8G759HCHSDB 345211K8G759HCEINECS 218-024-7NSC 18602NSC-18602
名称をさらに表示
3-クロロスチレン1-クロロ-3-エテニルベンゼン1-ビニル-3-クロロベンゼン1-エテニル-3-クロロベンゼンm-クロロスチレン1-クロロ-3-ビニルベンゼン3-クロロ-1-エテニルベンゼンmクロロスチレンCHLOROSTYRENE3-chloro-styrenm-chloro-styrenstyrene,m-chloro-meta-chlorostyreneStyrene, m-chloro-
3-ClC6H4CH=CH23-CHLOROSTYRENE [HSDB]DTXSID80731303chlorostyreneStyrene, mchloroStyrene, 3chloroBenzene, 1chloro3ethenylRefChem:154865

データベース識別子

CAS
2039-85-2
PubChem CID
14905
DTXSID
DTXSID8073130
UNII
11K8G759HC
EC Number
218-024-7
Nikkaji
J2.138E

物性

構造計算による物性

XLogP
3.1
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 Properties13C nuclear magnetic resonance spectrum
Density1.1168 @ 20 °C/4 °C
Solubility · 2 件

Insol in water

Sol in alcohol, ether, acetone

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point188.7 °C

物理化学的性質

融点
-23.4 °C · -23.4°C (estimate)
沸点
60 · 60-62 °C (6 mmHg)
比重(密度)
1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.562(lit.)
闪点
145 °F · 145 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire PotentialA flammable liquid. /Chlorostyrene/
Hazards SummaryIrritating to skin and eyes; [HSDB] An irritant; Harmful by inhalation and ingestion; [MSDSonline] See o-Chlorostyrene.
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Skin, Eye, and Respiratory IrritationsA skin & eye irritant. /Chlorostyrene/

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.

Preventive Measures · 1 件

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

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 m-chlorostyrene is expected to have low mobility in soil(SRC). Volatilization of m-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 m-chlorostyrene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 0.98 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 m-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), m-chlorostyrene, which has a vapor pressure of 0.98 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase m-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 m-chlorostyrene can be estimated to be 840(SRC). According to a classification scheme(2), this estimated Koc value suggests that m-chlorostyrene is expected to have low mobility in soil(SRC).

Human Toxicity ExcerptsA skin & eye irritant. /Chlorostyrene/
Environmental BiodegradationData regarding the biodegradation of m-chlorostyrene in either soil or aquatic systems were not available. (SRC)
Environmental Bioconcentration · 1 件

An estimated BCF of 100 was calculated for m-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
ridadr
1993
hs_code
29039990
risk_code
20/22-36/37/38
化審法
(3)-3442
消防法
危-4-2-III

化学と産業

応用分野

使用3-Chlorostyrene has been identified as a potential candidate for an electron resist to be used in direct device fabrication.

サプライヤー50 社

山东玖玥生物科技有限公司15553333686
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

関連反応

38 件

関連ノート

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