CAS 39098-97-0 2-Thiopheneacetyl chloride (HCID 162362)

概要

Thiophene-2-acetyl chloride appears as a clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.

名称と識別子

優先名称: 2-Thiopheneacetyl chloride
IUPAC: 2-thiophen-2-ylacetyl chloride
現地名: チオフェン-2-アセチルクロリド
英語名: 2-Thiopheneacetyl chloride
分子式: C6H5ClOS
分子量: 160.62

名称と別名

2-Thiopheneacetyl chloride39098-97-02-Thienylacetyl chlorideThiophene-2-acetyl chloride2-(2-thienyl)acetyl chloridethienylacetyl chloride3VR2Y6J8UGEINECS 254-290-0DTXSID5068156THIOPHENE-2-ACETIC ACID CHLORIDERefChem:89463thiophen-2-ylacetyl chloride

名称をさらに表示

チオフェン-2-アセチルクロリド(2-チエニル)酢酸クロリド2-チオフェン酢酸クロリドチオフェン-2-酢酸クロリド2-チエニル酢酸クロリド2-チエニルアセチルクロリド2チエニルアセチルクロリド2-チオフェンアセチルクロライド塩化物塩化2-チオフェンアセチル塩化2‐チオフェンアセチル2-チオフェンアセチルクロライドSKL1309AKOS BBS-000039192-ThiopheneacetyLTIMTEC-BB SBB0067052-Thiopheneacetyl chArticaine Impurity 2Articaine Impurity 112-thiophenyl chlorideArticaine Impurities1823

DTXCID2039594254-290-0AJYXPNIENRLELY-UHFFFAOYSA-N2-(thiophen-2-yl)acetyl chloride2-Thiophene acetyl chloride2-thiophen-2-ylacetyl chlorideThiopheneacetyl chlorideMFCD00005456

データベース識別子

CAS: 39098-97-0
PubChem CID: 162362
DTXSID: DTXSID5068156
UNII: 3VR2Y6J8UG
EC Number: 254-290-0
Nikkaji: J25.366I

物性

構造計算による物性

XLogP: 2
極性表面積: 45.3 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: 2
重原子数: 9
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Physical DescriptionThiophene-2-acetyl chloride appears as a clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.

物理化学的性質

沸点: 105 · 105-106 °C/22 mmHg (lit.) 130-135 °C/90 mmHg (lit.)
比重(密度): 1.303 g/mL · 1.303 g/mL at 25 °C (lit.)
蒸気圧: 4 mm · 4 mm Hg ( 83 °C)
屈折率: 20 · n20/D 1.551(lit.)
闪点: 215 °F · 215 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
色: クリアブラウン
比重: 1.303 · 1.303
水溶解度: 水と反応する。
BRN: 114547 · 114547
InChIKey: AJYXPNIENRLELY-UHFFFAOYSA-N
CAS データベース: 39098 · 39098-97-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Thiopheneacetyl chloride (39098-97-0)

化学的性質

化学的特性CLEAR BROWN LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 110 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: 24-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25726

DOT LabelCorrosive

Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Reactive GroupSulfides, Organic

Reactivity AlertsWater-Reactive

安全と保護具

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

安全データ

F: 8-10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29349990
risk_code: 14-34-37-29
化審法: (5)-5326
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-28-36/37/39-45-8-30-23
hazard_class: 8
packing_group: III

化学と産業

用途と製造

General Manufacturing Information2-Thiopheneacetyl chloride: ACTIVE

応用分野 · 3 件

説明2-Thiopheneacetyl chloride is used as a reagent to synthesize diamide derivatives of (S)-BINOL. These derivatives display potential anti-inflammatory and anti-arthritis effects. 2-Thiopheneacetyl chloride is also used in the synthesis of Nitrocefin (N493815), a chromogenic substrate that changes colour in the presence of β-lactamases and penicillin-binding proteins.

使用2-Thiopheneacetyl chloride was used in the synthesis of (S)-ethyl-1-(2-thiopheneacetyl)-3-piperidinecarboxylate, nipecotate-containing immunopotentiator, 5-fluorouracil-cephalosporin prodrug, series of new N,N-di(thiopheneacetyl)diamines derivatives and 6-β-(thiophen-2-yl)acetamidomorphine. Also used in the synthesis of Nitrocefin.

一般的な説明A clear yellow to dark brown liquid. Insoluble in water and denser than water. Corrosive to skin, and eyes. Vapors severely irritate respiratory tract.