2-Thienylacetonitrile (HCID 72880)

概要

2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It is functionally related to an acetonitrile.

名称と識別子

優先名称: 2-Thienylacetonitrile
IUPAC: 2-thiophen-2-ylacetonitrile
現地名: チオフェン-2-アセトニトリル
英語名: 2-Thiopheneacetonitrile
分子式: C6H5NS
分子量: 123.18

名称と別名

2-Thiopheneacetonitrile20893-30-52-ThienylacetonitrileThiophene-2-acetonitrile2-(Cyanomethyl)thiophene2-cyanomethylthiophenethiophen-2-yl-acetonitrileDTXSID5066663CHEBI:27382EINECS 244-104-6AI3-08540EC 244-104-6

名称をさらに表示

チオフェン-2-アセトニトリル2-(2-チエニル)アセトニトリル(2-チエニル)アセトニトリル2-チオフェンアセトニトリル2-チエニルアセトニトリル2-(シアノメチル)チオフェン2チオフェンアセトニトリル２チオフエンアセトニトリル2-チオフェンアセトニトリル, 99%thiophen-2-acetonitrile2-(2-Thienyl)acetonitrile2-Thiopheneacetonitrile 97%2-Thiopheneacetonitrile,96%Thiophene-2-acetonitrile >

RefChem:483737DTXCID5036395244-104-62-(Thiophen-2-yl)acetonitrile2-thiophen-2-ylacetonitrileC6H5NSThien-2-ylacetonitrileMFCD00005453

データベース識別子

CAS: 20893-30-5
PubChem CID: 72880
DTXSID: DTXSID5066663
ChEBI: CHEBI:27382
UNII: 3CSN23QD57
EC Number: 244-104-6
Nikkaji: J25.372C

物性

構造計算による物性

XLogP: 1.3
極性表面積: 52 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 113

物理化学的性質

融点: 50 · 50-51 °C
沸点: 115 · 115-120 °C/22 mmHg (lit.) 235-238 °C (lit.)
比重(密度): 1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.542(lit.)
闪点: 215 °F · 215 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.157 · 1.157
BRN: 106960 · 106960
InChI: InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2
InChIKey: CLSHQIDDCJTHAJ-UHFFFAOYSA-N
SMILES: C1(CC#N)SC=CC=1
CAS データベース: 20893 · 20893-30-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Thiopheneacetonitrile(20893-30-5)
EPAの化学物質情報: 2 · 2-Thiopheneacetonitrile (20893-30-5)

化学的性質

化学的特性clear colourless to slightly brown liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12193

Hazard Classes and CategoriesAcute Tox. 3 (69.9%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3276 6.1/PG 3
hs_code: 29349990
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 26-36/37-23-36
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing Information2-Thiopheneacetonitrile: ACTIVE

応用分野

用途有機合成原料。

使用2-Thiopheneacetonitrile was used as reagent during the synthesis of monodisperse Au/Au@polythiophene core/shell nanospheres.

上流・下流製品情報

上流原料

Zinc, chloro-2-thienyl-2-(ブロモメチル)チオフェン Benzenesulfonic acid,4-methyl-, 2-(2-thienylmethylene)hydrazide 1-ドデカンスルホン酸クロリド 2-チオフェンアセトアミドアセトンシアンヒドリンシアン化カリウムシアン化ナトリウムトリメチルシリルシアニド 2,2'-ビチオフェン亜鉛ジシアニドチオシアノカリウム

下流製品

2-オキソ-2-(2-チエニル)酢酸エチル

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

青岛司臣生物科技有限公司15066846586 15712728865 13713086161 15066846586 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

補足説明

定義ChEBI: 2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It derives from an acetonitrile.

チオフェン-2-アセトニトリル

基本情報

概要