1-Acetylcyclopentene

HCID 192925CAS 16112-10-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)C1=CCCC1
InChIKey: SLNPSLWTEUJUGY-UHFFFAOYSA-N
분자식: C7H10O
평균 분자량: 110.15 g/mol
단동위원소 질량: 110.07316494

개요

structure in first source

이름 및 식별자

우선 이름: 1-Acetylcyclopentene
IUPAC: 1-(cyclopenten-1-yl)ethanone
영어명: 1-ACETYL-1-CYCLOPENTENE
분자식: C7H10O
분자량: 110.15

이름 및 동의어

16112-10-01-AcetylcyclopenteneEthanone, 1-(1-cyclopenten-1-yl)-DTXSID80167069RefChem:74823DTXCID50895601-Acetyl-1-cyclopentene1-(cyclopent-1-en-1-yl)ethanone1-(cyclopenten-1-yl)ethanone1-(cyclopent-1-en-1-yl)ethan-1-one1-acetyl-cyclopent-1-ene1-Acetyl-1-cyclopentene, 97%

이름 더 보기

1-Acetylcyclopent-1-ene1-Cyclopent-1-enyl-ethanone1-(1-Cyclopentenyl)ethanone1-Acetyl-1-cyclopentene 97%Methyl (1-cyclopentenyl) ketone

1-cyclopenten-1-yl methyl ketoneMFCD00799464AKOS0091566611-cyclopentenylethanone1-(cyclopenten-1-yl)etSCHEMBL7205981-(1-cyclopentenyl)-ethanone1-Acetyl-1-cyclopentene,97%

데이터베이스 식별자

CAS: 16112-10-0
PubChem CID: 192925
DTXSID: DTXSID80167069
EC Number: 803-061-9
Nikkaji: J376.955K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 70 °C/20 · 70 °C/20 mmHg (lit.)
밀도: 0.955 g/mL · 0.955 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.483(lit.)
인화점: 59 °C · 59 °C
InChI: 1S/C7H10O/c1-6(8)7-4-2-3-5-7/h4H,2-3,5H2,1H3
InChIKey: SLNPSLWTEUJUGY-UHFFFAOYSA-N
SMILES: CC(=O)C1=CCCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1224 3/PG 3
HS 번호: 2914290090
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도1-Acetyl-1-cyclopentene may be used in the preparation of the following allenylcycloalkanes:1-vinylidenyl-2-[4-(trimethylsilyl)-3-butynyl]-cyclopentane1-vinylidenyl-2-(3-butynyl)-cyclopentane

일반 설명1-Acetyl-1-cyclopentene is a cyclic alkene. Its lithium enolate undergoes Brook rearrangement-mediated [3+4] annulation with 3-alkyl-3-haloacryloylsilanes to afford tricyclo[5.3.0.01,4]decenone derivatives. Asymmetric oxidative Heck reaction of 1-acetyl-1-cyclopentene in the presence of a Pd-ligand has been reported.