化工社化工社 化学情報印刷レポート · 研究参考用
2-クロロアセトアミド
2-クロロアセトアミド · ミクロシド · クロルアセトアミド · クロロアセトアミド · メルガールAF · モノクロル酢酸アミド · 2-クロロアセトアミド [生化学用] · 2‐クロロアセトアミド
識別子と物理属性
| CAS No. | 79-07-2 |
|---|---|
| 分子式 | C2H4ClNO |
| 平均分子量 | 93.51 g/mol |
| 単同位体質量 | 92.99814143 g/mol |
| SMILES | NC(=O)CCl |
| InChIKey | VXIVSQZSERGHQP-UHFFFAOYSA-N |
| PubChem CID | 6580 |
| ChEMBL | CHEMBL346368 |
| ChEBI | CHEBI:234507 |
| EC No. | 201-174-2 |
| DTXSID | DTXSID9041570 |
| 現地名 | 2-クロロアセトアミド |
化学・物理的性質
| XLogP | -0.5 |
|---|---|
| 極性表面積 | 43.1 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 44.9 |
| 物質分類 | Other Uses -> Biocides/Disinfectants |
| 化粧品 | Cosmetic ingredients (Chloroacetamide) -> CIR (Cosmetic Ingredient Review)Preservative |
| SpringerMaterials Properties | Moessbauer quadrupole effect |
| LogP（分配係数） | log Kow = -0.53 |
| 臭い | Characteristic odor |
| 密度 | Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.000.84 |
| Color/Form | Crystals from waterColorless to pale yellow crystals |
| 溶解度 | In water, 90,000 mg/L at 25 °CSolubility in water: 98 g/mL at 20 °CSoluble in alcoholinsoluble in etherSolubility in water, g/100ml at 20 °C: 98メタノール：可溶1g/10mL水に溶けます(90g/L)。 |
| Corrosivity | Strong irritant to skin and tissue |
| 引火点 | 170 °C |
| 沸点 | Approximately 225 °C (decomposes)224.5 °C |
| Decomposition | Decomposes on heating. This produces toxic fumes including nitrogen oxides and chlorine.When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.225 °C |
| 融点 | 116-118 °C(lit.) |
| 蒸気圧 | 0.05 mm Hg ( 20 °C) |
| 屈折率 | 1.4480 (estimate) |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | 14.69±0.40(Predicted) |
| 外観・状態 | 結晶性粉末 |
| 色 | 白い |
| pH | 3.8-4.1 (40g/l, H2O, 20℃) |
| Merck | 14,2110 |
| BRN | 878191 |
| ヘンリー定数 | 2.5×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| 化粧品成分の機能 | 防腐剤 |
| InChI | 1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5) |
| InChIKey | VXIVSQZSERGHQP-UHFFFAOYSA-N |
| SMILES | NC(=O)CCl |
| LogP（分配係数） | -0.530 |
| CAS データベース | 79-07-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Acetamide, 2-chloro-(79-07-2) |
| EPAの化学物質情報 | Acetamide, 2-chloro- (79-07-2) |
化学的特性
white crystalline powder
安全性と法規制
| GHS 分類 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P264, P270, P272, P280, P301+P316, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)H301 (92.5%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: Acetamide, 2-chloro-Status: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/110452-Chloroacetamide: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Acetamide, 2-chloro-: Human health tier II assessment |
| 火災危険 | Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 火災の可能性 | Not combustible. |
| 有害性の概要 | Allergic contact dermatitis reported in hairdressers and shoemakers[Kanerva, 1769] A skin and eye irritantMay cause skin sensitizationAnimal tests show that this substance possibly causes toxicity to human reproduction or development. [ICSC] Danger of skin sensitization[MAK] |
| FDA 要件 | Chloracetamide is an indirect food additive for use only as a component of adhesives. |
| EC 分類 | Symbol: TR: 25-43-62S: (1/2)-22-36/37-45 |
| UN 分類 | UN Hazard Class: 6.1UN Pack Group: III |
| Chemical Dangers | Decomposes on heating. This produces toxic fumes including nitrogen oxides and chlorine. Reacts with strong oxidants, strong reducing agents, strong acids and strong bases. |
| Packaging and Labelling | Do not transport with food and feedstuffs. |
| Toxic Combustion Products |
用途
用途
有機合成原料。
用途
金属加工用切削油組成物、塗料、接着剤 (CONTACT DERMATITIS (FROSCH) (4TH, 2006))
説明
Chloroacetamide is a preservative used in several applications such as in cutting metalwork fluids, in paints or in glues. It can induce contact dermatitis in hairdressers, or in shoemakers when used as a leather preservative.
使用
2-Chloroacetamide is used as surface-active agent in home laundry, cleaning products & household formulated cleaners, other industrial uses, petroleum production, polymer processing.
製法・合成法
純化方法
Recrystallise the amide from acetone and dry it under vacuum over P2O5. [Beilstein 2 IV 490.]