基本情報
- 標準SMILES
[C-]#[N+]C- InChIKey
ZRKSVHFXTRFQFL-UHFFFAOYSA-N- 分子式
- C2H3N
- 平均分子量
- 41.05 g/mol
- 単同位体質量
- 41.0265491
概要
Isocyanomethane is an isocyanide.
名称と識別子
- 優先名称
- Methyl isocyanide
- IUPAC
- isocyanomethane
- 現地名
- イソシアン化メチル
- 英語名
- METHYL ISOCYANIDE
- 分子式
- C2H3N
- 分子量
- 41.05
名称と別名
名称をさらに表示
データベース識別子
- CAS
593-75-9- PubChem CID
- 11646
- DTXSID
DTXSID3075040- ChEBI
CHEBI:44177- UNII
- B5B6DXM7GG
- EC Number
- 209-806-9
- Nikkaji
- J2.698K
物性
構造計算による物性
- XLogP
- 0
- 極性表面積
- 4.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 3
- 形式電荷
- 0
- 複雑度
- 29.3
実験および物理化学的性質
物理化学的性質
- 融点
- -45 °C · -45°C
- 沸点
- 81.65 °C · 81.65°C (estimate)
- 比重(密度)
- 0.7424 · 0.7424
- 屈折率
- 1.3427 · 1.3427
- 貯蔵温度
- Refrigerator, Under inert atmosphere
- 溶解性
- クロロホルム(可溶)、メタノール(微量)
- 外見
- 油
- 色
- ライトオレンジからオレンジ
- 水溶解度
- 91 g/L · 91g/L(15℃)
- 比熱容量
- 1.29 J/ · Cp(gas): 1.29 J/(g·K), at 25℃
- EPAの化学物質情報
- Methyl isocyanide (593-75-9)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
毒性情報
Treatment
Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)
Health Effects
Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
Toxicity Summary
Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)
安全データ
- ridadr
- UN2929
- hazard_class
- 6.1, 3
化学と産業
薬理情報
Metabolism/Metabolites
Cyanide is rapidly alsorbed through oral, inhalation, and dermal routes and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)
用途と製造
応用分野
解説CH3NC(41.05).イソシアン化メチル, ヨウ化メチルとシアン化銀とを加熱すると得られる.アセトニトリル様の臭気をもつ有毒な無色の液体.沸点60 ℃.水あるいはアルカリでメチルアミンとギ酸に分解する.爆発性がある.森北出版「化学辞典(第2版)
使用Isocyanomethane can be used as porous embolization microspheres comprising drugs.
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