p-Vinylbenzyl chloride (HCID 74126)

名称と識別子

優先名称: p-Vinylbenzyl chloride
IUPAC: 1-(chloromethyl)-4-ethenylbenzene
現地名: 4-(クロロメチル)スチレン
英語名: 4-Vinylbenzyl chloride
分子式: C9H9Cl
分子量: 152.62

名称と別名

4-Vinylbenzyl chloride1592-20-71-(Chloromethyl)-4-vinylbenzene4-(Chloromethyl)styrene1-(chloromethyl)-4-ethenylbenzenep-vinylbenzyl chlorideBenzene, 1-(chloromethyl)-4-ethenyl-CJL4OJ6BS0Benzene, (chloromethyl)ethenyl-EINECS 216-471-2DTXSID2061808RefChem:858262

名称をさらに表示

4-(クロロメチル)スチレン1-ビニル-4-(クロロメチル)ベンゼン4-ビニルベンジルクロリドp-ビニルベンジルクロリド4-ビニル-1-クロロメチルベンゼン1-エテニル-4-(クロロメチル)ベンゼン1-(クロロメチル)-4-ビニルベンゼン4-クロロメチルスチレン4-(クロロメチル)-1-ビニルベンゼン4-ビニル-1-(クロロメチル)ベンゼン4-(クロロメチル)-1-エテニルベンゼンp-(クロロメチル)スチレン塩化4-ビニルベンジル4-Viニルベンジルクロリド塩化4‐ビニルベンジル1-(クロロメチル)-4-ビニルベンゼン (STABILISED WITH TBC + ONP + 2-NITRO-P-CRESOL)4-VINYLBENZYL CHLORIDE, STAB.4-(Chloromethyl)styrene, 90%, stabilizedCMS 144-Vinylbenylchloride4-Vinylbenzyl chlorip-(Chloromethyl)styrene

1(Chloromethyl)4vinylbenzeneDTXCID4035124Benzene, 1(chloromethyl)4ethenylEINECS 250-005-9216-471-24-Chloromethylstyrene1-(chloromethyl)-4-vinyl-benzenepoly(4-vinylbenzyl chloride)

データベース識別子

CAS: 1592-20-7、30030-25-2
PubChem CID: 74126
DTXSID: DTXSID2061808
UNII: CJL4OJ6BS0
EC Number: 216-471-2
Nikkaji: J91.309J

物性

構造計算による物性

XLogP: 3.1
極性表面積: 0 Å²
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: 2
重原子数: 10
形式電荷: 0
複雑度: 101

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics

Physical Description · 2 件

Liquid

Liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 229 °C · 229 °C(lit.)
比重(密度): 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
蒸気密度: 5.3 · 5.3 (vs air)
蒸気圧: 1 mm · 1 mm Hg ( 56.1 °C)
屈折率: 20 · n20/D 1.572(lit.)
闪点: 221 °F · 221 °F
貯蔵温度: 2 · 2-8°C
水溶解度: Insoluble in water
溶解性: Chloroform (Sparingly)
外見: 液体
色: クリアイエロー
凝固点: -15.5 · -15.5
BRN: 2204384 · 2204384
安定性: Light Sensitive
InChI: 1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2
InChIKey: ZRZHXNCATOYMJH-UHFFFAOYSA-N
SMILES: ClCc1ccc(C=C)cc1
CAS データベース: 1592 · 1592-20-7(CAS DataBase Reference)
EPAの化学物質情報: 1 · Benzene, 1-(chloromethyl)-4-ethenyl- (1592-20-7)

化学的性質

化学的特性clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 6 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-(chloromethyl)-4-ethenyl-

Benzene, (chloromethyl)ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (chloromethyl)ethenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Hazards Summary · 1 件

Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; May cause skin sensitization; Harmful by ingestion; Toxic by skin absorption; Oral LD50 (rat) = 630-1,260 mg/kg; Dermal LD50 (rabbit) = 500-1,000 mg/kg; [Sigma-Aldrich MSDS] Search for (1592-20-7[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 8-19
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 3
hs_code: 29039990
risk_code: 34-43-21/22
化審法: (3)-46
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 3 件

All Other Chemical Product and Preparation Manufacturing

Benzene, 1-(chloromethyl)-4-ethenyl-: ACTIVE

Benzene, (chloromethyl)ethenyl-: ACTIVE

応用分野

使用Component of ion exchange resins, photo-resist polymers, cross-linkable fibers, coupling agents and electroconducting polymers.Starter for various copolymer preparations.Dual functional monomer. Readily derivatized by chloride displacement.

調製方法 · 1 件

純化方法Purify 4-vinylbenzyl chloride by dissolving it in Et2O, washing it with 0.5% of aqueous NaOH, separating, drying the organic layer (Na2SO4), evaporating and distilling the residual oil under N2 in vacuo. Add 0.05% of 4-tert-butylcatechol as stabilizer. It is lachrymatory. [Nishikubo et al. Tetrahedron Lett 22 3872 1981, Tanimoto et al. Synth Commun 4 193 1974, Beilstein 6 IV 3818.]

上流・下流製品情報

上流原料

(2-ブロモエチル)ベンゼンカリウム tert-ブトキシドクロロメチルメチルエーテル tert-ブチルメチルエーテル tert-ブタノールベンジンジクロロメタン水酸化ナトリウム塩化アルミニウム(Ⅲ)六水和物 1,1,2,2-テトラクロロエタン

下流製品

4-(ピペリジン-1-カルボニル)フェニルボロン酸 4-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID 3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID 1-[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)ベンジル]ピロリジン酢酸4-ビニルベンジル 1-[4-(chloromethyl)phenyl]ethanone p-クロロメチルベンズアルデヒド 4-CHLOROMETHYLSTILBENE 4-ビニルベンジルグリシジルエーテル N-(p-ビニルベンジル)ピペリジン

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4-(クロロメチル)スチレン

基本情報