チオフェン-2-酢酸

2-Thiopheneacetic acid

HCID 15970CAS 1918-77-0
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)Cc1cccs1
InChIKey
SMJRBWINMFUUDS-UHFFFAOYSA-N
分子式
C6H6O2S
平均分子量
142.18 g/mol
単同位体質量
142.00885043

概要

2-thienylacetic acid is a thiophene compound having a carboxymethyl group at the 2-position. It has a role as an allergen. It is a monocarboxylic acid and a member of thiophenes. It is functionally related to an acetic acid. It is a conjugate acid of a thien-2-ylacetate.

名称と識別子

優先名称
2-Thiopheneacetic acid
IUPAC
2-thiophen-2-ylacetic acid
現地名
チオフェン-2-酢酸
英語名
2-Thiopheneacetic acid
分子式
C6H6O2S
分子量
142.18

名称と別名

2-Thiopheneacetic acid1918-77-02-(thiophen-2-yl)acetic acid2-Thienylacetic acidTHIOPHENE-2-ACETIC ACID2-thiophen-2-ylacetic acidA8S4F49X7ACHEBI:45807DTXSID5062059RefChem:483754DTXCID3036024217-639-8
名称をさらに表示
チオフェン-2-酢酸2-チエニル酢酸2-(2-チエニル)酢酸(2-チエニル)酢酸2-チオフェン酢酸2‐チオフェン酢酸2-ThiopheneThien-2-ylacetateAKOS BBS-000037282-thienylaceticaciRARECHEM AL BO 0215TIMTEC-BB SBB004145
Thiopheneacetic acid2-(2-thienyl)acetic acidMFCD00005458thiophen-2-ylacetic acid(Thien-2-yl)acetic acid2-THIOPHENE ACETIC ACID69492-74-62-THENYLACETIC ACID

データベース識別子

CAS
1918-77-0、69492-74-6
PubChem CID
15970
DTXSID
DTXSID5062059
ChEBI
CHEBI:45807
UNII
A8S4F49X7A
EC Number
217-639-8
Nikkaji
J86.569I

物性

構造計算による物性

XLogP
1
極性表面積
65.5 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
9

物理化学的性質

融点
63 · 63-64 °C (lit.)
沸点
160 °C/22 · 160 °C/22 mmHg (lit.)
比重(密度)
1.365 · 1.365 (estimate)
屈折率
1.53 · 1.5300 (estimate)
闪点
160 °C/22mm · 160°C/22mm
貯蔵温度
2 · Keep in dark place,Inert atmosphere,2-8°C

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (12.7%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2-Thiopheneacetic acid

Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22642

Hazard Classes and CategoriesMet. Corr. 1 (12.7%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29349990
risk_code
34-37-36/37/38
化審法
(9)-2296

化学と産業

用途と製造

General Manufacturing Information2-Thiopheneacetic acid: ACTIVE

応用分野

使用2-Thiopheneacetic acid is used in the preparation of rosette-like nanoscale gold materials. Further, it is used as a pharmaceutical intermediate for cefaloridine and cefalotin sodium.

一般的な説明Adsorption of 2-thiopheneacetic acid on XAD-4, NDA-100 and ND-90 resin has been investigated. A new polymeric complex of Cu(II) and 2-thiopheneacetic acid has been synthesized and characterized by IR and Raman spectroscopy.

調製方法

純化方法Crystallise the acid from ligroin, hexane and/or distil it in a vacuum. The amide has m 148o (from H2O or pet ether). [Beilstein 18 H 293, 18 III/IV 4062, 18/6 V 207.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

関連反応

307 件
反応記録を作成

関連ノート

読み込み中…