2-아세틸-3-메틸티오펜

3-Methyl-2-acetylthiophene

HCID 83653CAS 13679-72-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)c1sccc1C
InChIKey
YBJDKNXEWQSGEL-UHFFFAOYSA-N
분자식
C7H8OS
평균 분자량
140.2 g/mol
단동위원소 질량
140.02958588

개요

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

이름 및 식별자

우선 이름
3-Methyl-2-acetylthiophene
IUPAC
1-(3-methylthiophen-2-yl)ethanone
현지명
2-아세틸-3-메틸티오펜
영어명
2-Acetyl-3-methylthiophene
분자식
C7H8OS
분자량
140.2

이름 및 동의어

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
이름 더 보기
2-아세틸-3-메틸티오펜Thiophene, 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2
극성 표면적
45.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점
98 · 98-99 °C14 mm Hg(lit.)
밀도
1.124 g/mL · 1.124 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.562(lit.)
인화점
199 °F · 199 °F
저장 조건
2 · 2-8°C
Specific Gravity
1.126 · 1.126

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 2건

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 · 4건

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

안전 데이터

wgk
3
HS 번호
29349990
risk_code
20/21/22-22
hazard_code
Xi
safety_code
36/37-36
포장분류
III

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도2-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

상·하류 제품 정보

공급사50 곳

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]

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