기본 정보
- CAS
10311-40-7- 표준 SMILES
Cc1ccc(S(C)(=O)=O)c(C)c1N- InChIKey
IAWUBBZDJUPVOE-UHFFFAOYSA-N- 분자식
- C9H13NO2S
- 평균 분자량
- 199.27 g/mol
- 단동위원소 질량
- 199.06669966
이름 및 식별자
- 우선 이름
- 2,6-Dimethyl-3-(methylsulfonyl)aniline
- IUPAC
- 2,6-dimethyl-3-methylsulfonylaniline
- 현지명
- 2,6-디메틸-3-(메틸술포닐)아닐린
- 영어명
- 2,6-Dimethyl-3-(methylsulfonyl)aniline
- 분자식
- C9H13NO2S
- 분자량
- 199.27
이름 및 동의어
2,6-dimethyl-3-(methylsulfonyl)aniline10311-40-7DTXSID80375506RefChem:248467DTXCID40326534674-365-52,6-dimethyl-3-methylsulfonylanilineMFCD040379213-methanesulfonyl-2,6-dimethylaniline2,6-dimethyl-3-(methylsulphonyl)anilineSCHEMBL10339150SCHEMBL31282621
이름 더 보기
2,6-디메틸-3-(메틸술포닐)아닐린3-(Methylsulfonyl)-2,6-xylidine2,6-Dimethyl-3-methylsulfonyl-anilin2,6-Dimethyl-3-(methylsulfonyl)aniline?New2,6-Dimethyl-3-(methylsulphonyl)aniline 95+%Benzenamine, 2,6-dimethyl-3-(methylsulfonyl)-3-(Methylsulphonyl)-2,6-xylidine, 3-Amino-2,4-dimethylphenyl methyl sulphone
SBB0925002,6-dimethyl-3-methylsulfonyl-anilineAKOS006227591PS-59503-(Methanesulfonyl)-2,6-dimethylaniline2,6-dimethyl-3-(methylsulfonyl)benzenamine2,6-dimethyl-3-(methylsulfonyl)phenylamineDB-020228
데이터베이스 식별자
- CAS
10311-40-7- PubChem CID
- 2761052
- DTXSID
DTXSID80375506- EC Number
- 674-365-5
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 68.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 268
물리화학적 성질
- 녹는점
- 103 · 103-105°C
- 끓는 점
- 402.7 · 402.7±45.0 °C(Predicted)
- 밀도
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.37 · 2.37±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2921420090
화학 및 산업
응용 분야
용도2,6-Dimethyl-3-(methylsulfonyl)aniline is useful for preparation of first reported potent and selective sphingosine phosphate receptor antagonists.
공급사12 곳
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