CAS 934-72-5 Methyl 4-methylphenylsulfoxide (HCID 136743)

기본 정보

CAS: 934-72-5
표준 SMILES: Cc1ccc(S(C)=O)cc1
InChIKey: FEVALTJSQBFLEU-UHFFFAOYSA-N
분자식: C8H10OS
평균 분자량: 154.23 g/mol
단동위원소 질량: 154.04523594

이름 및 식별자

우선 이름: Methyl 4-methylphenylsulfoxide
IUPAC: 1-methyl-4-methylsulfinylbenzene
현지명: 1-메틸-4-(메틸필닐)벤젠
영어명: 1-Methyl-4-(methylsulfinyl)benzene
분자식: C8H10OS
분자량: 154.23

이름 및 동의어

Methyl 4-methylphenylsulfoxide1-Methanesulfinyl-4-methylbenzeneMethyl p-methylphenylsulfoxideNSC 141186RefChem:157634FEVALTJSQBFLEU-UHFFFAOYSA-N934-72-51-Methyl-4-(methylsulfinyl)benzeneMethyl p-tolyl sulfoxide1-methyl-4-methylsulfinylbenzene1-Methyl-4-(methylsulphinyl)benzeneMethyl 4-methylphenyl sulphoxide

이름 더 보기

1-메틸-4-(메틸필닐)벤젠4-(Methylsulfinyl)tolueneMethyl p-tolyl sulfoxide 97%4-Methylphenyl (methyl) sulfoxide1-(Methylsulfinyl)-4-methylbenzene

METHYL 4-TOLYL SULFOXIDEMFCD00075175SCHEMBL280535Methyl p-tolyl sulfoxide, 97%DTXSID401347144NSC141186NSC-141186Benzene, 1-methyl-4-[(R)-methylsulfinyl]-

데이터베이스 식별자

CAS: 934-72-5
PubChem CID: 136743
DTXSID: DTXSID401347144
EC Number: 890-047-0
Nikkaji: J283.994F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 44 · 44-46 °C (lit.)
끓는 점: 113 · 113-114 °C/2 mmHg (lit.)
밀도: 1.1125 · 1.1125 (rough estimate)
굴절률: 1.578 · 1.5780 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C8H10OS/c1-7-3-5-8(6-4-7)10(2)9/h3-6H,1-2H3
InChIKey: FEVALTJSQBFLEU-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(C)=O

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29309099
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl p-tolyl sulfoxide may be used as a catalyst in the preparation of homoallylic alcohols by the allylation of aldehydes with allyltrichlorosilane. It may be used as a ligand in the synthesis of molybdenum chlorocomplexes.

일반 설명Methyl p-tolyl sulfoxide (MTSO), an alkyl-substituted p-tolyl sulfoxide, is a Lewis base. It behaves as an activator of silicon tetrachloride that is employed in aza-Diels-Alder reaction.

공급사53 곳

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