3-페닐-2-클로로-3-옥소프로피온산에틸에스테르

Ethyl 2-chloro-3-oxo-3-phenylpropanoate

HCID 9855991

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41381-97-9
표준 SMILES: CCOC(=O)C(Cl)C(=O)c1ccccc1
InChIKey: FYIINBVGKBDRME-UHFFFAOYSA-N
분자식: C11H11ClO3
평균 분자량: 226.65 g/mol

이름 및 식별자

우선 이름: Ethyl 2-chloro-3-oxo-3-phenylpropanoate
IUPAC: ethyl 2-chloro-3-oxo-3-phenylpropanoate
현지명: 3-페닐-2-클로로-3-옥소프로피온산에틸에스테르
영어명: 3-Phenyl-2-chloro-3-oxopropionic acid ethyl ester
분자식: C11H11ClO3
분자량: 226.66

이름 및 동의어

ethyl 2-chloro-3-oxo-3-phenylpropanoate41381-97-9MFCD000398933-Phenyl-2-chloro-3-oxopropionic acid ethyl esteralpha-chlorobenzoylacetic acid ethyl esterBenzenepropanoic acid, alpha-chloro-beta-oxo-, ethyl esterBenzoylchloroacetic acid ethyl esterEthyl 2-chloro-3-oxo-3-phenyl-propanoate2-Chloro-3-phenyl-3-oxopropanoic acid ethyl esterSCHEMBL670205alpha-Chloro-beta-oxobenzenepropanoic acid ethyl esteralpha-Chloro-beta-oxobenzenepropionic acid ethyl ester

이름 더 보기

3-페닐-2-클로로-3-옥소프로피온산에틸에스테르α-Chlorobenzoylacetic acid ethyl esterα-Chloro-β-oxobenzenepropionic acid ethyl esterα-Chloro-β-oxobenzenepropanoic acid ethyl esterBenzenepropanoic acid, α-chloro-β-oxo-, ethyl esterBenzenepropanoic acid, a-chloro-b-oxo-, ethyl ester

FYIINBVGKBDRME-UHFFFAOYSA-NUCOVEHXJDWFHET-UHFFFAOYSA-NALBB-036376AKOS015967518ethyl 2-chloro-3-oxo-3-phenylpropionateAS-93687SY476596DB-157453

데이터베이스 식별자

CAS: 41381-97-9
PubChem CID: 9855991
EC Number: 156-287-9
Nikkaji: J267.307J

물성

구조 계산 물성

XLogP: 2.7
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: 234

물리화학적 성질

끓는 점: 175 · 175-177 °C(Press: 10 Torr)
밀도: 1.22 · 1.220±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 6.87 · 6.87±0.26(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.