化工社化工社 化学情報印刷レポート · 研究参考用
1-クロロ-2-メチルプロパン
1-クロロ-2-メチルプロパン · １－クロロ－２メチルプロパン · 塩化ISO-ブチル · 塩化イソブチル · イソブチルクロリド · 1‐クロロ‐2‐メチルプロパン · ISOBUTYL CHLORIDE · 3-CHLORO-2-METHYLPROPANE
識別子と物理属性
| CAS No. | 513-36-0 |
|---|---|
| 分子式 | C4H9Cl |
| 平均分子量 | 92.57 g/mol |
| 単同位体質量 | 92.03927797 g/mol |
| SMILES | CC(C)CCl |
| InChIKey | QTBFPMKWQKYFLR-UHFFFAOYSA-N |
| PubChem CID | 10554 |
| ChEMBL | CHEMBL160966 |
| EC No. | 208-157-9 |
| DTXSID | DTXSID4060153 |
| 現地名 | 1-クロロ-2-メチルプロパン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 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 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 17.6 |
| 物質分類 | Flammable agents - 3rd degree |
| Solvents | Solvents -> Chlorinated Aliphatics |
| SpringerMaterials Properties | Schoenflies notation |
| LogP（分配係数） | 2.39 |
| 密度 | Relative density (water = 1): 0.90.881 @ 20°C0.883 g/mL at 25 °C (lit.) |
| 溶解度 | Solubility in water: noneH2O: 不溶28mg/l (20℃) |
| 引火点 | -10 °C70 °F |
| 沸点 | 69 °C68.8 °C @760 [mm Hg]68-69 °C (lit.) |
| 融点 | -131 °C-131 °C (lit.) |
| 蒸気密度 | Relative vapor density (air = 1): 3.2 |
| 蒸気圧 | 150.0 [mmHg]161 hPa (20 °C) |
| Physical Description | Colorless liquid[ICSC]COLOURLESS LIQUID. |
| 屈折率 | n20/D 1.398(lit.) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | Liquid |
| 色 | Colorless to Almost colorless |
| 爆発限界 | 2.0-8.8%(V) |
| Merck | 14,5138 |
| BRN | 635650 |
| ヘンリー定数 | 8.3×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981) |
| 誘電率 | 7.1(20℃) |
| InChI | 1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3 |
| InChIKey | QTBFPMKWQKYFLR-UHFFFAOYSA-N |
| SMILES | CC(C)CCl |
| 表面張力 | 22.31mN/m at 293.15K |
| CAS データベース | 513-36-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Propane, 1-chloro-2-methyl-(513-36-0) |
| EPAの化学物質情報 | Propane, 1-chloro-2-methyl- (513-36-0) |
化学的特性
CLEAR COLOURLESS LIQUID
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1.2% (2 of 165) of reports.DangerH225 (98.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Propane, 1-chloro-2-methyl-Status: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/207381-Chloro-2-methylpropane: 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.) |
| 火災危険 | Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| 有害性の概要 | No listed effects of short-term or long-term exposure[ICSC] An irritant[Alfa Aesar MSDS] See n-Butyl chloride. |
| UN 分類 | UN Hazard Class: 3UN Pack Group: II |
| Chemical Dangers | Decomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride (see ICSC 0163) and phosgene (see ICSC 0007). Reacts violently with strong oxidants and powdered metals. This generates fire and explosion hazard. |
| Physical Dangers | The vapour is heavier than air and may travel along the grounddistant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated. |
| Hazard Classes and Categories | Flam. Liq. 2 (98.8%)Flammable agents - 3rd degree |
| Lower Explosive Limit (LEL) | 20000 [ppm] |
| Explosive Limits and Potential | Explosive limits , vol% in air: 2.0-8.8 |
| 消火 | Use powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 応急処置措置 | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention . |
| 安全保管 | Fireproof. Separated from powdered metals and strong oxidants. |
| 漏出処分 | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (e.g., by grounding). Do NOT use compressed air for filling, discharging, or handling. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation, local exhaust or breathing protection. |
| Protective Action Criteria (PAC) | 6.0 [ppm]25 [ppm]340 [ppm] |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 1127 3/PG 2 |
| 税関コード | 29031990 |
| 危険文句（R） | 11 |
| 化審法 | (2)-60 |
| 消防法 | 危-4-1-II |
| 危険表示 | F |
| 安全措置（S） | 16-9-33-29 |
| 危険等級 | 3Flam. Liq. 2 |
| 包装等級 | II |
| 自然発火温度 | 395 °C |
| 貯蔵分類 | 3 - Flammable liquids |
用途
使用
1-Chloro-2-methylpropane is used to prepare an organometllic compound, isobutyllithium by reacting with lithium using petroleum ether as a solvent.
一般的な説明
The gas-solid virial co-effiicent of 1-chloro-2-methylpropane was determined. The infrared and Raman spectra of 1-chloro-2-methylpropane was studied.
製法・合成法
純化方法
Use the same methods as described under isoamyl chloride.[Beilstein 1 IV 287.]