Tetrahydrothiopyran-4-one (HCID 66173)

이름 및 식별자

우선 이름: Tetrahydrothiopyran-4-one
IUPAC: thian-4-one
영어명: Tetrahydrothiopyran-4-one
분자식: C5H8OS
분자량: 116.18

이름 및 동의어

Tetrahydrothiopyran-4-oneTetrahydro-4H-thiopyran-4-onePenthianone4-Thiacyclohexanone4H-Thiopyran-4-one, tetrahydro-dihydro-2H-thiopyran-4(3H)-oneTetrahydrothiopyranone4-THIACYCLOHEXAN-1-ONEUNII-667X5M356L4-tetrahydrothiopyranoneTetrahydrothia-4-pyranoneEINECS 214-015-7

이름 더 보기

THIAN-4-ONE4-OXOTHIANE4-Oxothiane>THIAN-3-ONEOXIME4-Thiacyclohexanon

NSC-41599667X5M356L4h-tetrahydrothiopyran-4-oneTetrahydro-4H-thiapyran-4-oneTETRAHYDROTHIAPYRAN-4-ONEDTXSID40147948RefChem:188717DTXCID6070439

데이터베이스 식별자

CAS: 1072-72-6
PubChem CID: 66173
DTXSID: DTXSID40147948
UNII: 667X5M356L
EC Number: 214-015-7
Nikkaji: J113.728J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 72.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: 60 · 60-64 °C (lit.)
끓는 점: 140.82 °C · 140.82°C (estimate)
밀도: 1.05 · 1.050 (estimate)
굴절률: 1.51 · 1.5100 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
물리적 상태: 결정질 고체
색상: 흰색에서 연한 노란색
BRN: 106464 · 106464
InChI: InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N
SMILES: C1SCCC(=O)C1
LogP: 0.49 · 0.490 (est)
NIST: 4 H-Thiopyran-4-one, · 4H-Thiopyran-4-one, tetrahydro-(1072-72-6)

화학적 성질

WHITE TO PALE YELLOW CRYSTALLINE SOLID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 8.3% (1 of 12) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/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 12 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

4H-Thiopyran-4-one, tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Tetrahydro-4H-thiopyran-4-one is a cyclic carbonyl compound used as a reactant in the stereoselective preparation of [aryl(nitro)ethyl] carbonyl compounds via asymmetric Michael addition to nitroolefins catalyzed by chiral pyrrolidine-pyridine conjugate bases.

일반 설명The diastereoselectivity of the aldol reaction of tetrahydro-4H-thiopyran-4-one has been studied.

상·하류 제품 정보

상류 원료

Propanoic acid, 3,3'-thiobis-, di-2-propenyl ester (9CI)4H-Thiopyran-4-one, 2,3-dihydro-2H-Thiopyran, 3,6-dihydro-4-[(trimethylsilyl)oxy]-decane-6-carboxaldehyde ">1,4-dioxa-8-thiaspirodecane-6-carboxaldehyde 티안-4-온S-옥사이드 Methyl tetrahydro-4-oxo-2H-thiopyran-3-carboxylate 테트라하이드로 티오 피란-4-올 디메틸3,3'-티오디프로파노에이트 1,5-디브로모-펜탄-3-온 디에틸3,3'-티오비스프로피오네이트 피페리디늄,1,1-디메틸-4-옥소-,요오드화물 싸이오다이프로피온산

하류 제품

테트라하이드로티오피란-4-온옥시메 4-아미노테트라하이드로티오피란-4-카보니트릴 Thiopyrano[4,3-c]pyrazole, 1,4,6,7-tetrahydro-N-메틸테트라히드로-2H-티오피란-4-아민(SALTDATA:HCl)

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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Tetrahydrothiopyran-4-one

기본 정보