4-(2-チエニル)ブタン酸

4-(2-Thienyl)Butyric Acid

HCID 78386CAS 4653-11-6
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)CCCc1cccs1
InChIKey
VYTXLSQVYGNWLV-UHFFFAOYSA-N
分子式
C8H10O2S
平均分子量
170.23 g/mol
単同位体質量
170.04015056

概要

4-(2-thienyl)butyric acid is a monocarboxylic acid that is butyric acid bearing a 2-thienyl group at position 4. It has a role as a hapten. It is a monocarboxylic acid and a member of thiophenes. It is functionally related to a butyric acid.

名称と識別子

優先名称
4-(2-Thienyl)Butyric Acid
IUPAC
4-thiophen-2-ylbutanoic acid
現地名
4-(2-チエニル)ブタン酸
英語名
4-(2-THIENYL)BUTYRIC ACID
分子式
C8H10O2S
分子量
170.23

名称と別名

4-(2-Thienyl)butyric acid4653-11-62-Thiophenebutanoic acid4-(2-Thienyl)butanoic acidCHEBI:40114VLB4C9G6WYDTXSID70196868RefChem:970894-TByADTXCID10119359225-090-04-(thiophen-2-yl)butanoic acid
名称をさらに表示
チオフェン-2-ブタン酸2-チオフェン酪酸4-(2-チエニル)ブタン酸2-チオフェンブタン酸チオフェン-2-酪酸4-(2-チエニル)酪酸4-(2-チエニル)酪酸, 98%4-(2-thienyl)butyricaciThiophene-2-butanoic acid2-(2-THIENYL)BUTYRIC ACID4-(2-Thienyl)butyricacid,98+%4-(2-Thienyl)butyric acid, GC 97%
4-thiophen-2-ylbutanoic acid2-Thiophenebutyric acid4-Thiophen-2-yl-butyric acidMFCD000054634-thien-2-ylbutanoic acid4-(2-thienyl)-butyric acidgamma-(alpha-thienyl)butyricacid4-(2-Thienyl)butyric acid, 98%

データベース識別子

CAS
4653-11-6
PubChem CID
78386
DTXSID
DTXSID70196868
ChEMBL
CHEMBL1230333
ChEBI
CHEBI:40114
UNII
VLB4C9G6WY
EC Number
225-090-0
Nikkaji
J205D

物性

構造計算による物性

XLogP
1.8
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
4
重原子数
11

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

融点
13.5 · 13.5-15 °C
沸点
122 °C · 122°C 0,3mm
比重(密度)
1.169 g/mL · 1.169 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.532(lit.)
闪点
230 °F · >230 °F
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性CLEAR SLIGHTLY BROWNISH LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 4 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 CategoriesSkin Irrit. 2 (97.8%)

安全データ

wgk
3
hs_code
29309099
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
hazard_class
IRRITANT

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用2-Thiophenebutanoic Acid is used to prepare cell-penetrating peptide α-keto-amide calpain inhibitors as potential treatment for muscular dystrophy. it is also used to prepare isochroman carboxylic acid derivatives as potential anti-diabetic agents.

上流・下流製品情報

サプライヤー50 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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: A monocarboxylic acid that is butyric acid bearing a 2-thienyl group at position 4.

関連反応

37 件
反応記録を作成

関連ノート

読み込み中…