2-Thiopheneethanol (HCID 79400)

概要

2-(2-Thienyl)ethanol is a heteroarene.

名称と識別子

優先名称: 2-Thiopheneethanol
IUPAC: 2-thiophen-2-ylethanol
現地名: 2-チオフェンエタノール
英語名: 2-Thiopheneethanol
分子式: C6H8OS
分子量: 128.19

名称と別名

2-Thiopheneethanol5402-55-12-(2-Thienyl)ethanol2-(2-Hydroxyethyl)thiopheneThiophen-2-ethanolEthanol, 2-(2-thienyl)-EINECS 226-452-0NSC 5136DTXSID2063840EC 226-452-0RefChem:483791DTXCID4041573

名称をさらに表示

2-チオフェンエタノール2-(2-ヒドロキシエチル)チオフェン2-(2-チエニル)エタノールチオフェン-2-エタノール2-(2-チエニル)エチルアルコール2-(2-チエニル)エタノ-ル2-チエニルエタノール2‐(2‐チエニル)エタノール2-(2-チエニル)エタノール, 98%2-THIENYLETHANOL2- thiophenealcohol2-ThiophenylethanolTHIOPHENE-2-ETHYANOL

226-452-0Thiophene-2-ethanol2-(thiophen-2-yl)ethanol2-(THIOPHEN-2-YL)ETHAN-1-OL2-thiophen-2-ylethanol2-THIOPHENETHANOLThiopheneethanolMFCD00005462

データベース識別子

CAS: 5402-55-1
PubChem CID: 79400
DTXSID: DTXSID2063840
ChEBI: CHEBI:195139
UNII: 332ZDU4HDC
EC Number: 226-452-0
Nikkaji: J213E

物性

構造計算による物性

XLogP: 1.3
極性表面積: 48.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 65.5

実験および物理化学的性質

SpringerMaterials PropertiesSurface tension

物理化学的性質

沸点: 108 · 108-109 °C/13 mmHg (lit.)
比重(密度): 1.153 g/mL · 1.153 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.551(lit.)
闪点: 214 °F · 214 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly)
外見: 液体
酸解離定数(Pka): 14.77 · 14.77±0.10(Predicted)
色: 澄んだ薄黄色から灰緑色または茶色がかった
水溶解度: わずかに溶ける
BRN: 106985 · 106985
InChI: 1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2
InChIKey: VMJOFTHFJMLIKL-UHFFFAOYSA-N
SMILES: OCCc1cccs1
LogP: 1.04 · 1.040 (est)
CAS データベース: 5402 · 5402-55-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Thiopheneethanol(5402-55-1)
EPAの化学物質情報: 2 · 2-Thiopheneethanol (5402-55-1)

化学的性質

化学的特性clear colorless to slightly brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 76.5% (13 of 17) of all reports.

Warning

H302 (23.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, 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 17 reports by companies from 5 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

Status: Active Update: 21-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12422

2-Thiopheneethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (23.5%)

安全データ

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29349990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 23-24/25-36-26
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information2-Thiopheneethanol: ACTIVE

応用分野 · 1 件

使用2-Thiopheneethanol is a thiophene derivative used in the preparation of oligothiophene isothiocyanates as fluorescent markers for biopolymers. 2-Thiopheneethanol is also used in the preparation of oth er biologically active compounds such as the analgesic Sulfentanyl and the antithrombotic Clopidogrel Hydrogen Sulfate (C587250).