2-アセチル-3-メチルチオフェン

3-Methyl-2-acetylthiophene

HCID 83653CAS 13679-72-6
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(=O)c1sccc1C
InChIKey
YBJDKNXEWQSGEL-UHFFFAOYSA-N
分子式
C7H8OS
平均分子量
140.2 g/mol
単同位体質量
140.02958588

概要

2-Acetyl-3-methylthiophene is an aromatic ketone.

名称と識別子

優先名称
3-Methyl-2-acetylthiophene
IUPAC
1-(3-methylthiophen-2-yl)ethanone
現地名
2-アセチル-3-メチルチオフェン
英語名
2-Acetyl-3-methylthiophene
分子式
C7H8OS
分子量
140.2

名称と別名

2-Acetyl-3-methylthiophene13679-72-61-(3-methylthiophen-2-yl)ethanone1-(3-methylthiophen-2-yl)ethan-1-one3-methyl-2-acetylthiophene1-(3-Methyl-2-thienyl)ethanoneEthanone, 1-(3-methyl-2-thienyl)-1-(3-Methyl-2-thienyl)ethan-1-one2KD6HNJ9VWEINECS 237-179-1NSC-170616DTXSID90159930
名称をさらに表示
1-(3-メチル-2-チエニル)エタノン3-メチル-2-アセチルチオフェン2-アセチル-3-メチルチオフェン1-(3-メチルチオフェン-2-イル)エタン-1-オンThiophene, 2-acetyl-3-methyl2-ACETYL-3-METHYLTHIOPHENE,98%1-(3-Methyl-thiophen-2-yl)-ethanone76167 3-METHYL-2-ACETYLTHIOPHENE
NSC 1706161-(3-METHYLTHIEN-2-YL)ETHANONE3-METHYL-2-THIENYL METHYL KETONEKETONE, METHYL 3-METHYL-2-THIENYLRefChem:503643DTXCID7082421237-179-1MFCD00005443

データベース識別子

CAS
13679-72-6
PubChem CID
83653
DTXSID
DTXSID90159930
ChEBI
CHEBI:173592
UNII
2KD6HNJ9VW
EC Number
237-179-1
Nikkaji
J277.986B

物性

構造計算による物性

XLogP
2
極性表面積
45.3 Ų
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
9

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift
Boiling Point216.00 °C. @ 760.00 mm Hg

物理化学的性質

沸点
98 · 98-99 °C14 mm Hg(lit.)
比重(密度)
1.124 g/mL · 1.124 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.562(lit.)
闪点
199 °F · 199 °F
貯蔵温度
2 · 2-8°C
比重
1.126 · 1.126

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 94.7% (89 of 94) of all reports.

Not Classified

Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Ethanone, 1-(3-methyl-2-thienyl)-: Does not have an individual approval but may be used under an appropriate group standard

Peroxide Forming Chemical · 4 件

2-Acetyl-3-methylthiophene

D: Other compounds that may form peroxides

NFPA

A vacuum distillation of 2-acetyl-3-methylthiophene detonated on a lab bench. See Bretherick's.

Hazard Classes and CategoriesNot Classified

安全データ

wgk
3
hs_code
29349990
risk_code
20/21/22-22
hazard_code
Xi
safety_code
36/37-36
hazard_class
IRRITANT, IRRITANT-HARMFUL

化学と産業

薬理情報

Cellular LocationsCytoplasm

応用分野

用途有機合成原料。

使用2-Acetyl-3-methylthiophene has been used in:automated parallel synthesis of combinatorial arrays of individual chalcone derivativessynthesis of 2-hydroxy-4-(3-methylthiophen-2-yl)-4-oxobut-2-enoic acid

上流・下流製品情報

サプライヤー50 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

関連反応

2 件
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関連ノート

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3-Methyl-2-acetylthiophene (HCID 83653)｜化工社