3-(4-브로모-페닐)-3-옥소-프로피온산에틸에스테르

Ethyl 3-(4-bromophenyl)-3-oxopropanoate

HCID 2757149

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26510-95-2
표준 SMILES: CCOC(=O)CC(=O)c1ccc(Br)cc1
InChIKey: PBDYXCKRDRCJDC-UHFFFAOYSA-N
분자식: C11H11BrO3
평균 분자량: 271.11 g/mol
단동위원소 질량: 269.98915631

이름 및 식별자

우선 이름: Ethyl 3-(4-bromophenyl)-3-oxopropanoate
IUPAC: ethyl 3-(4-bromophenyl)-3-oxopropanoate
현지명: 3-(4-브로모-페닐)-3-옥소-프로피온산에틸에스테르
영어명: 3-(4-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
분자식: C11H11BrO3
분자량: 271.11

이름 및 동의어

ethyl 3-(4-bromophenyl)-3-oxopropanoateDTXSID10949375RefChem:594674DTXCID301377570673-424-226510-95-2Ethyl (4-bromobenzoyl)acetateEthyl 3-(4-bromophenyl)-3-oxo-propionateBenzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester3-(4-bromo-phenyl)-3-oxo-propionic acid ethyl esterMFCD00231243ETHYL 3-(4-BROMOPHENYL)-3-OXO-PROPANOATE

이름 더 보기

3-(4-브로모-페닐)-3-옥소-프로피온산에틸에스테르Ethyl (p-Bromobenzoyl)acetateethyle(4-bromobenzoyl)acetateEthyl (4-bromobenzoyl)acetate,95%Ethyl 4-bromo-β-oxobenzenepropanoate3-(4-Bromophenyl)-3-oxo-propionic acidethyl3-(4-bromophenyl)-3-oxo-propionateBenzenepropanoic acid,4-bromo-b-oxo-, ethyl ester

3-(4-Bromophenyl)-3-oxo-propionic acid ethylester3-(4-Bromo-phenyl)-3-oxo-propionic acid ethylester(4-Bromobenzoyl)acetic Acid Ethyl EsterAC-29817Ethyl 3-(4-Bromophenyl)-3-oxopropionateethyl 4-bromobenzoylacetate3-(4-bromophenyl)-3-oxo-propionic acid ethyl esterSCHEMBL13634

데이터베이스 식별자

CAS: 26510-95-2
PubChem CID: 2757149
DTXSID: DTXSID10949375
ChEMBL: CHEMBL5273411
EC Number: 673-424-2
Nikkaji: J2.081.295H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 232

물리화학적 성질

끓는 점: 268 · 268-269 °C(lit.)
밀도: 1.432 g/mL · 1.432 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5700(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 9.56 · 9.56±0.25(Predicted)
색상: 맑은 노란색
InChI: 1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKey: PBDYXCKRDRCJDC-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)c1ccc(Br)cc1

화학적 성질

Clear yellow to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29183000
risk_code: 36/37/38
safety_code: 26-37/39
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl 3-(4-bromophenyl)-3-oxo-propionate

일반 설명Ethyl (4-bromobenzoyl)acetate can be prepared by employing the following reagents:ethyl acetylacetate petroleum ether NaOH 4-bromobenzoyl chloride