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기본 정보
- CAS
59431-14-0- 표준 SMILES
CSCS(=O)(=O)c1ccccc1- InChIKey
XBGGZYQBIQAYII-UHFFFAOYSA-N- 분자식
- C8H10O2S2
- 평균 분자량
- 202.3 g/mol
- 단동위원소 질량
- 202.0122219
이름 및 식별자
- 우선 이름
- Methylthiomethyl phenyl sulfone
- IUPAC
- methylsulfanylmethylsulfonylbenzene
- 영어명
- METHYLTHIOMETHYL PHENYL SULFONE
- 분자식
- C8H10O2S2
- 분자량
- 202.29
이름 및 동의어
Methylthiomethyl phenyl sulfone59431-14-0methylsulfanylmethylsulfonylbenzeneDTXSID00349143RefChem:818722DTXCID60300215622-953-7Methyl((phenylsulfonyl)methyl)sulfane[(methylthiomethyl)sulfonyl]benzeneSCHEMBL730444SCHEMBL11565035MFCD00075517
이름 더 보기
LABOTEST-BB LT00452176
SBB057692{[(methylthio)methyl]sulfonyl}benzene1-((Methylthio)methylsulfonyl)benzeneMethylthiomethyl phenyl sulfone, 99%AKOS024370876[(Methylsulfanyl)methanesulfonyl]benzeneAS-87519benzene, [[(methylthio)methyl]sulfonyl]-
데이터베이스 식별자
- CAS
59431-14-0- PubChem CID
- 643313
- DTXSID
DTXSID00349143- EC Number
- 622-953-7
- Nikkaji
- J1.189.638C
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 67.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 210
물리화학적 성질
- 녹는점
- 85 · 85-87 °C (lit.)
- InChI
- 1S/C8H10O2S2/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChIKey
- XBGGZYQBIQAYII-UHFFFAOYSA-N
- SMILES
- CSCS(=O)(=O)c1ccccc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Methylthiomethyl phenyl sulfone may be employed:as nucleophilic and electrophilic building block, in the asymmetric synthesis of 6-N-benzoyl-5′-O-benzyl-2′-deoxyadenosine and its anomerin the synthesis of various multidentate methylthio arylethynes (MTA) derivativesas starting reagent in the preparation of methylthio arylbutadiynes (Ar-C=C-C=C-SCH3)
일반 설명Methylthiomethyl phenyl sulfone is a sulfone derivative.
공급사10 곳
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Aladdin Scientific[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
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