기본 정보
- 표준 SMILES
CC(C)Cc1ccc(C(C)C(=O)Cl)cc1- InChIKey
QXVRLFIKHYCFJS-UHFFFAOYSA-N- 분자식
- C13H17ClO
- 평균 분자량
- 224.72 g/mol
- 단동위원소 질량
- 224.09679284
이름 및 식별자
- 우선 이름
- alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride
- IUPAC
- 2-[4-(2-methylpropyl)phenyl]propanoyl chloride
- 현지명
- 2-(p-이소부틸페닐)프로피오닐클로라이드
- 영어명
- 2-(p-isobutylphenyl)propionyl chloride
- 분자식
- C13H17ClO
- 분자량
- 224.73
이름 및 동의어
34715-60-12-(p-Isobutylphenyl)propionyl chloridealpha-Methyl-4-(2-methylpropyl)benzeneacetyl chlorideRefChem:1076527252-165-52-(4-Isobutylphenyl)propanoyl chloride2-[4-(2-methylpropyl)phenyl]propanoyl chloride2-[4-(Isobutyl)phenyl]propionyl chlorideMFCD017648002-(4-isobutylphenyl)propionic acid chlorideEINECS 252-165-5alpha-Methyl-4-isobutylbenzeneacetic acid chloride
이름 더 보기
2-(p-이소부틸페닐)프로피오닐클로라이드α-Methyl-4-isobutylbenzeneacetic acid chlorideα-Methyl-4-(2-methylpropyl)benzeneacetyl chlorideBenzeneacetyl chloride,a-methyl-4-(2-methylpropyl)-Benzeneacetyl chloride, α-methyl-4-(2-methylpropyl)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid chloride
2-[4-(2-Methylpropyl)phenyl]propanoic acid chlorideSCHEMBL1028462alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid chlorideDTXSID609561902-(4-isobutylphenyl)propionyl chloride2-(4-Isobutylphenyl)propanoyl chloride #SY2295222-(p-isobutylphenyl)propionic acid chloride
데이터베이스 식별자
- CAS
34715-60-1- PubChem CID
- 595157
- DTXSID
DTXSID60956190- EC Number
- 252-165-5
- Nikkaji
- J250.959H
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 205
물리화학적 성질
- 녹는점
- 118 · 118-119 °C(Solv: benzene (71-43-2))
- 끓는 점
- 66 · 66-68 °C(Press: 1.9e-3 Torr)
- 밀도
- 1.049 · 1.049±0.06 g/cm3(Predicted)
안전 및 규제
안전 데이터
- HS 번호
- 2916399090
화학 및 산업
응용 분야
용도2-(4-Isobutylphenyl)propanoyl Chloride is an intermediate in synthesizing rac Ibuproxam (I140200), a poorly water-soluble anti-inflammatory drug.
공급사13 곳
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