2-[2,4-비스(1,1-디메틸프로필)페녹시]부티릴클로라이드

2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride

HCID 170393CAS 40567-16-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Cl
InChIKey: WHZZJRDDIPKYMV-UHFFFAOYSA-N
분자식: C20H31ClO2
평균 분자량: 338.9 g/mol
단동위원소 질량: 338.20125791

이름 및 식별자

우선 이름: 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride
IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
현지명: 2-[2,4-비스(1,1-디메틸프로필)페녹시]부티릴클로라이드
영어명: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
분자식: C20H31ClO2
분자량: 338.91

이름 및 동의어

Butanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-EINECS 254-978-02-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chlorideDTXSID50885809Butanoyl chloride, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-RefChem:451883DTXCID401025170254-978-040567-16-62-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chlorideSCHEMBL7131378

이름 더 보기

2-[2,4-비스(1,1-디메틸프로필)페녹시]부티릴클로라이드2-(2,4-Di-tert-amylphenoxy)-butyryl chloride2-(2,4-Di-tert-pentylphenoxy)butanoic acid chloride2-[2.4-bis(1,1-dimethylpropylyphenoxy]butyryl chloride2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-Butanoyl chloride 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-butanoyl chlorid

AKOS0158908122-(2,4-di-t-amylphenoxy)butanoyl chlorideDB-239652NS000577202-(2,4-di-tert-amylphenoxy)butanoyl chloride2-(2,4-di-tert-amylphenoxy)butyryl chloride2-(2,4-di-tert-pentylphenoxy)butyryl chloride2-(2,4-di-t-amylphenoxy)butanoic acid chloride

데이터베이스 식별자

CAS: 40567-16-6
PubChem CID: 170393
DTXSID: DTXSID50885809
EC Number: 254-978-0
Nikkaji: J179.155I

물성

구조 계산 물성

XLogP: 7.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 8
무거운 원자 수: 23
형식 전하: 0
복잡도: 389

물리화학적 성질

끓는 점: 138 · 138-140 °C(Press: 1.0 Torr)
밀도: 1.002 · 1.002±0.06 g/cm3(Predicted)
EPA: 2 · Butanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (40567-16-6)