イソシアノエタン

Ethane, isocyano-

HCID 12226CAS 624-79-3

基本情報

標準SMILES
[C-]#[N+]CC
InChIKey
BPCWCZCOOFUXGQ-UHFFFAOYSA-N
分子式
C3H5N
平均分子量
55.08 g/mol
単同位体質量
55.04219916

名称と識別子

優先名称
Ethane, isocyano-
IUPAC
isocyanoethane
現地名
イソシアノエタン
英語名
Ethyl isocyanide
分子式
C3H5N
分子量
55.08

名称と別名

Isocyanoethane624-79-3Ethane, isocyano-DTXSID90977959RefChem:1084352DTXCID001405289210-863-7Ethylisokyanid [Czech]Ethylkarbylamin [Czech]EINECS 210-863-7SCHEMBL1103820SCHEMBL3352025
名称をさらに表示
イソシアン化エチルエチルイソシアニドエチルカルビラミンイソシアノエタンエチルイソニトリルethyl carbylamineHANSA ISN-0734lsocyanoethaneEthyl isocyanideethyl isonitrileethyl isocyanide DISCONTINUED
SCHEMBL5633574MFCD01740118MFCD26620314AKOS005144117GS-0305NS00043371InChI=1/C3H5N/c1-3-4-2/h3H2,1HEN300-1854730

データベース識別子

CAS
624-79-3
PubChem CID
12226
DTXSID
DTXSID90977959
EC Number
210-863-7
Nikkaji
J6.855A

物性

構造計算による物性

XLogP
0.3
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
4

物理化学的性質

沸点
96.85 °C · 96.85°C (estimate)
比重(密度)
0.7378 · 0.7378
屈折率
1.3607 · 1.3607
水溶解度
999 mg/L · 999mg/L(温度表記なし)
EPAの化学物質情報
Ethane, isocyano- (624-79-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

ridadr
UN2929
hazard_class
6.1, 3

化学と産業

応用分野 · 2 件

解説エチルイソシアニド.イソシアン化エチル,エチルカルビルアミンともいう.シアン化銀にヨウ化エチルを反応させてエチルイソシアニド-ヨウ化銀錯体とした後,シアン化カリウムを作用させると生成する.特異の悪臭を有する無色の液体.沸点78~79 ℃.n20 1.3632.100~160 ℃ で熱すると重合する.

使用Principal use in toxicology was in the characterization of cytochrome P450 isozymes. Ethyl isocyanide and the reduced cytochrome form a characteristic optical difference spectrum with two peaks in the Soret Region (type III). The pH equilibrium point (the pH at which the two peaks are of equal height) varies between different isozymes.

調製方法 · 1 件

製造方法CAUTION: The reaction and distillation should be conducted behind a safety shield. Precautions for handling toxic cyanides should be observed.To a three-necked flask equipped with a condenser and ground glass stirrer (or Hershberg stirrer) is added 116 gm (0.75 mole) of ethyl iodide and 100 gm (0.75 mole) of silver cyanide. The mixture is refluxed for 2 hr, the stirrer blade raised, the mixture cooled, filtered (see Note a), the solid washed with ether, dried, and 260 gm of a 50% solution of potassium cyanide (2.0 moles) added. The reaction mixture is distilled to afford a mixture of isonitrile and water (see Note b). The crude isonitrile 49.5- 52.3 gm (90-95%) is separated after being salted out of the water. The isonitrile is washed twice with 24-ml portions of ice-cold saturated sodium chloride solution, dried over magnesium sulfate, and fractionally distilled, to afford 25.9-30.3 gm (47-55%), b.p. 77-79°C (760 mm Hg).

サプライヤー6 社

上海相辉医药科技有限公司13761987713 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

関連反応

3 件

関連ノート

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