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2-クロロスチレン (安定剤：TBC)
2-クロロスチレン (安定剤：TBC) · 1-クロロ-2-ビニルベンゼン · 1-クロロ-2-エテニルベンゼン · 1-ビニル-2-クロロベンゼン · 2-クロロスチレン · 1-エテニル-2-クロロベンゼン · o-クロロスチレン · 2-クロロ-1-ビニルベンゼン
識別子と物理属性
| CAS No. | 2039-87-4 |
|---|---|
| 分子式 | C8H7Cl |
| 平均分子量 | 138.59 g/mol |
| 単同位体質量 | 138.0236279 g/mol |
| SMILES | C=Cc1ccccc1Cl |
| InChIKey | ISRGONDNXBCDBM-UHFFFAOYSA-N |
| PubChem CID | 14906 |
| ChEMBL | CHEMBL1564623 |
| EC No. | 218-026-8 |
| DTXSID | DTXSID3024811 |
| 現地名 | 2-クロロスチレン (安定剤：TBC) |
化学・物理的性質
| XLogP | 3.4 |
|---|---|
| 極性表面積 | 0 |
| 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 |
| 形式電荷 | 0 |
| 複雑度 | 98 |
| LogP（分配係数） | 3.58 |
| 臭い | Limited evidence indicates that the odor-warning property of o-chlorostyrene does not offer adequate warning & that vapor concns must approach 400-600 ppm to discourage exposures to even unacclimated workers. |
| 密度 | 1.1 at 68 °F (NTP, 1992) - Denser than waterwill sink1.1 @ 20 °CRelative density (water = 1): 1.11.101.08 g/mL at 25 °C (lit.) |
| Color/Form | LiquidColorless liquid. |
| 溶解度 | less than 1 mg/mL at 70 °F (NTP, 1992)SOL IN ALC, ETHER, ACETONE, ACETIC ACID, PETROLEUM ETHERSOL IN CARBON TETRACHLORIDESolubility in water: very poorInsoluble水に不溶。 |
| 引火点 | 138 °F (NTP, 1992)58 °C58 °C c.c. |
| 沸点 | 371.7 °F at 760 mmHg (NTP, 1992)188.7 °C @ 760 mm Hg372 °F58-60 °C/7 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /chlorides/. |
| 融点 | -81.7 °F (NTP, 1992)-63.1 °C-63.2 °C-82 °F |
| 蒸気密度 | Relative vapor density (air = 1): 4.8 |
| 蒸気圧 | 0.96 mmHg at 77 °F (NIOSH, 2024)0.96 [mmHg]9.6X10-1 mm Hg @ 25 °CVapor pressure, kPa at 25 °C: 0.130.96 mmHg at 77 °F(77 °F): 0.96 mmHg |
| 屈折率 | Index of refraction: 1.5649 @ 20 °C/Dn20/D 1.565(lit.) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| 色 | Colorless to Almost colorless |
| BRN | 2038863 |
| ヘンリー定数 | 4.7×10-3 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2 |
| InChIKey | ISRGONDNXBCDBM-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=CC=C1C=C |
| CAS データベース | 2039-87-4(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Chlorostyrene(2039-87-4) |
| EPAの化学物質情報 | o-Chlorostyrene (2039-87-4) |
化学的特性
2-Chlorostyrene, also called o-Chlorostyrene, is a flammable liquid that ranges in color from colorless to light yellow. It is used in the manufacture of polychlorostyrene which is a clear, colorless plastic with good foaming, heat distortion and flame-retardant properties.
安全性と法規制
| GHS 分類 | DangerH226 (89.8%): Flammable liquid and vapor [Warning Flammable liquids]H315 (16.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (16.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (83.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (12.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H350 (83.7%): May cause cancer [Danger Carcinogenicity]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | o-Chlorostyrene: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | This compound is combustible. (NTP, 1992)Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 58 °C explosive vapour/air mixtures may be formed. |
| 健康有害性 | Excerpt from NIOSH Pocket Guide for o-Chlorostyrene:Exposure Routes: Inhalation, ingestion, skin and/or eye contactSymptoms: In Animals: irritation eyes, skinhematuria (blood in the urine), proteinuria, acidosisenlarged liver, jaundiceTarget Organs: Eyes, skin, liver, kidneys, central nervous system, peripheral nervous system (NIOSH, 2024) |
用途
用途
樹脂添加剤、有機合成用(中間体)
使用
2-Chlorostyrene is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
製法・合成法
製造方法
o-Chlorostyrene is commercially produced as a monomer from o-chloroethylbenzene by an oxidation technique. p-Chlorostyrene is also produced as a mixture with o-chlorostyrene.