化工社化工社 化学情報印刷レポート · 研究参考用
プロピリデンジクロリド
1,1-ジクロロプロパン · プロピリデンジクロリド · プロピリデンクロリド · 二塩化プロピリデン · 1,1-Dichlorpropan · r270fb · propylidenchlorid · 1,1-DICHLOROPROPANE
識別子と物理属性
| CAS No. | 26638-19-7 |
|---|---|
| 分子式 | C3H6Cl2 |
| 平均分子量 | 112.98 g/mol |
| 単同位体質量 | 111.9846556 g/mol |
| SMILES | CCC(Cl)Cl |
| InChIKey | WIHMGGWNMISDNJ-UHFFFAOYSA-N |
| PubChem CID | 6573 |
| ChEMBL | CHEMBL2287704 |
| EC No. | 201-165-3 |
| DTXSID | DTXSID9058818 |
| 現地名 | プロピリデンジクロリド |
化学・物理的性質
| XLogP | 2.5 |
|---|---|
| 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 | 18 |
| LogP（分配係数） | 2.3 (calculated) |
| 臭い | Sweet |
| 密度 | 1.1321 at 68 °F (USCG, 1999) - Denser than waterwill sink1.1321 g/cu cm at 20 °CDensity: 1.143 at 10 °CRelative density (water = 1): 1.131.1321 @ 20°C1.13 g/mL at 25 °C (lit.) |
| Color/Form | LiquidColorless watery liquid |
| 溶解度 | In water, 2,700 mg/L at 20 °CVery slightly soluble in waterSoluble in alcohol, ether, benzene, chloroformSoluble in many org solventsSolubility in water: none有機溶剤: 可溶(lit.)organic solvents: soluble(lit.)water: very slightly soluble(lit.) |
| 引火点 | 70 °F (est.) (USCG, 1999)16 °C7 °C (45 °F) - closed cup16 °C o.c. |
| 沸点 | 190.6 °F at 760 mmHg (USCG, 1999)88.4 °C88 °C88.1 °C @760 [mm Hg]88 °C (lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides, hydrogen chloride gas.When heated to decomposition it emits toxic fumes of /chloride/. |
| 蒸気密度 | 3.9 (Air = 1)Relative vapor density (air = 1): 3.9 |
| 蒸気圧 | 68.3 [mmHg]68.3 mm Hg at 25 °CVapor pressure, kPa at 25 °C: 8.765.9 [mm Hg] @25 °C |
| 屈折率 | Index of refraction: 1.4289 at 20 °C/Dn20/D 1.4275(lit.) |
| Heat of Combustion | -6667 Btu/lb = -3704 cal/g |
| 融点 | -83.56°C (estimate) |
| 外観・状態 | liquid |
| Merck | 13,7953 |
| ヘンリー定数 | 2.6×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3 |
| InChIKey | WIHMGGWNMISDNJ-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)CC |
| CAS データベース | 78-99-9 |
| EPAの化学物質情報 | 1,1-Dichloropropane (78-99-9) |
安全性と法規制
| GHS 分類 | DangerH225 (92.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (100%): Suspected of causing cancer [Warning 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 42 reports by companies from 3 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 | Chemical: Propane, 1,1-dichloro- |
| 輸送ラベル（DOT） | Combustible Liquid |
| 火災危険 | Special Hazards of Combustion Products: Emits fumes of phosgene (USCG, 1999)Highly flammable. Heating will cause rise in pressure with risk of bursting. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| 火災の可能性 | A very dangerous fire hazard when exposed to heat, flame, or oxidizers. |
| 健康有害性 | INHALATION: May cause some central nervous system depression. EYES: May cause some pain and irritation. SKIN: Mild irritation. (USCG, 1999) |
| 有害性の概要 | A skin and eye irritant[ICSC] Inhalation can cause CNS depressionHigh concentrations may cause lacrimation[HSDB] An irritantInhalation of high concentrations can cause CNS depression |
用途
使用
1,1-Dichloropropane was used in the synthesis of chloropropenes by undergoing flash vacuum pyrolysis over magnesium.
一般的な説明
Colorless watery liquid with a sweet odor. Sinks in water. Produces irritating vapor.