2-Acetylbenzofuran (HCID 15435)

개요

structure in first source

이름 및 식별자

우선 이름: 2-Acetylbenzofuran
IUPAC: 1-(1-benzofuran-2-yl)ethanone
현지명: 2-아세틸벤조푸란
영어명: 2-Acetylbenzofuran
분자식: C10H8O2
분자량: 160.17

이름 및 동의어

2-Acetylbenzofuran1646-26-02-AcetylcoumaroneEthanone, 1-(2-benzofuranyl)-2-Benzofuranyl methyl ketoneacetylbenzofuran1-(2-Benzofuranyl)ethanoneBenzo(b)furan-2-yl methyl ketoneKETONE, 2-BENZOFURANYL METHYLA1FJQ7D0K3NSC-23974NSC-28904

이름 더 보기

2-아세틸벤조푸란Coumarone1-(Benzofuran-2-yl)ethan-1-onetonka ketone2-BenzofuranyL2-ACETYLBENZO[B]FURAN1-(1-BENZOFURAN-2-YL)ETHANONEAKOS BBS-00004551

COUMARONE 600303DTXSID3061845RefChem:84995DTXCID1035288216-706-91-(benzofuran-2-yl)ethanone2-AcetylcumaroneBenzofuran-2-yl methyl ketone

데이터베이스 식별자

CAS: 1646-26-0
PubChem CID: 15435
DTXSID: DTXSID3061845
ChEMBL: CHEMBL561390
UNII: A1FJQ7D0K3
EC Number: 216-706-9
Nikkaji: J71.201I

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (1-(2-Benzofuranyl)ethanone) -> IFRA transparency List

LogP2.15

물리화학적 성질

녹는점: 70 · 70-72 °C(lit.)
끓는 점: 110 · 110-113 °C3 mm Hg(lit.)
밀도: 1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
증기압: 0.26 Pa · 0.26Pa at 25℃
굴절률: 1.53 · 1.5300 (estimate)
인화점: 110 °C · >110°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 달콤한 쿠마린 꽃 오렌지플라워 트로피컬 네롤리 락토닉 인동덩굴 꿀
냄새 유형: 쿠마린
수용성: 물에 불용성.
BRN: 117910 · 117910
화장품 원료 기능: 향수향기
InChI: 1S/C10H8O2/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChIKey: YUTFQTAITWWGFH-UHFFFAOYSA-N
SMILES: CC(=O)c1cc2ccccc2o1
LogP: 1.94 at · 1.94 at 20℃
NIST: 1 · Ethanone, 1-(2-benzofuranyl)-(1646-26-0)
EPA: 1 · Ethanone, 1-(2-benzofuranyl)- (1646-26-0)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (99.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Ethanone, 1-(2-benzofuranyl)-

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22717

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

Other Safety InformationNC Assessments - Ethanone, 1-(2-benzofuranyl)-: Health and Environment

Hazard Classes and CategoriesSkin Sens. 1 (99.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: OB1203000
독성: mouse,LD50,intraperitoneal,1200mg/kg (1200mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 383, 1977.
HS 번호: 29329985
risk_code: 40-52
hazard_code: Xn
safety_code: 22-24/25-36/37
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing InformationEthanone, 1-(2-benzofuranyl)-: ACTIVE

응용 분야

용도2-Benzofuranyl methyl ketone ( 2-Acetylbenzofuran) has been used to synthesize many benzofuran derivatives. It is also used to prepare fluorinated chalcones.

일반 설명Microwave assisted Claisen-Schmidt condensation of 2-acetylbenzofuran was studied.

상·하류 제품 정보

상류 원료

질소 주석염화물 무수초산 디에틸에테르 N,N-디메틸아세트아미드 벤조퓨란 석유 에테르 부틸리튬

하류 제품

2-에틸벤조푸란-3-카브알데히드 [1-(1-benzofuran-2-yl)ethyl](ethyl)amine [1-(1-benzofuran-2-yl)ethyl](methyl)amine MFCD15730801 Ethanone, 1-(2-benzofuranyl)-2-chloro-3-BENZO[B]푸란-2-YL-1H-피라졸 2-시아노아세틸쿠마론 에틸4-(1-벤조푸란-2-일)-2,4-디옥소부타노에이트 (1R)-1-(1-benzofuran-2-yl)ethan-1-ol

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

불러오는 중…

2-아세틸벤조푸란

기본 정보

개요