2-아세틸-4-메틸티오펜

1-(4-Methyl-2-thienyl)ethan-1-one

HCID 83654CAS 13679-73-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1cc(C)cs1
InChIKey: NFZNHUNPIJPRMP-UHFFFAOYSA-N
분자식: C7H8OS
평균 분자량: 140.2 g/mol
단동위원소 질량: 140.02958588

이름 및 식별자

우선 이름: 1-(4-Methyl-2-thienyl)ethan-1-one
IUPAC: 1-(4-methylthiophen-2-yl)ethanone
현지명: 2-아세틸-4-메틸티오펜
영어명: 2-Acetyl-4-methylthiophene
분자식: C7H8OS
분자량: 140.2

이름 및 동의어

Ethanone, 1-(4-methyl-2-thienyl)-1-(4-Methyl-2-thienyl)ethan-1-oneAI3-61742EINECS 237-180-7NSC 80386DTXSID50159931RefChem:425837DTXCID2082422237-180-713679-73-71-(4-methylthiophen-2-yl)ethanone2-Acetyl-4-methylthiophene

이름 더 보기

2-아세틸-4-메틸티오펜CHEMBRDG-BB 4004647N-thiophen-2-ylbenzamide2-Acetyl-4-methylthiophene 97%1-(4-methyl-2-thienyl)ethanone(SALTDATA: FREE)

1-(4-Methyl-2-thienyl)ethanoneMFCD000273951-(4-methylthiophen-2-yl)ethan-1-one1-(4-Methyl-Thiophen-2-Yl)-EthanoneSCHEMBL1612962AKOS006223683SY101199CS-0186262

데이터베이스 식별자

CAS: 13679-73-7
PubChem CID: 83654
DTXSID: DTXSID50159931
EC Number: 237-180-7
Nikkaji: J236.244I

물성

구조 계산 물성

XLogP: 2
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 122

물리화학적 성질

끓는 점: 108 · 108-109 °C(lit.)
밀도: 1.224 g/mL · 1.224 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5600(lit.)
인화점: 221 °F · 221 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
BRN: 111378 · 111378
InChI: 1S/C7H8OS/c1-5-3-7(6(2)8)9-4-5/h3-4H,1-2H3
InChIKey: NFZNHUNPIJPRMP-UHFFFAOYSA-N
SMILES: Cc1csc(c1)C(C)=O
LogP: 1.186 · 1.186 (est)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.