3-벤질-5-(2-하이드록시에틸)-4-메틸티아졸륨클로라이드
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride
기본 정보
- CAS
4568-71-2- 표준 SMILES
Cc1c(CCO)sc[n+]1Cc1ccccc1.[Cl-]- InChIKey
IWSVLBKHBJGMAA-UHFFFAOYSA-M- 분자식
- C13H16ClNOS
- 평균 분자량
- 269.79 g/mol
- 단동위원소 질량
- 269.06411281
이름 및 식별자
- 우선 이름
- 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride
- IUPAC
- 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride
- 현지명
- 3-벤질-5-(2-하이드록시에틸)-4-메틸티아졸륨클로라이드
- 영어명
- 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride
- 분자식
- C13H16ClNOS
- 분자량
- 269.79
이름 및 동의어
4568-71-23-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chlorideRefChem:93062224-947-6EINECS 224-947-6NSC 1728023-benzyl-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chlorideMFCD000119592-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethanol;chloride2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol;chlorideEN300-7355556
이름 더 보기
3-벤질-5-(2-하이드록시에틸)-4-메틸티아졸륨클로라이드3-Benzyl-5-(hydroxyethyl)-4-methylthiazolium chloride3-Benzyl-4-methyl-5-(2-hydroxyethyl)thiazole-3-ium·chlorideNsc172802-3-ium chL-5-(2-hydroxyethyLLABOTEST-BB LT004529123-Benzyl-5(2-OHEt)-4-mEtthiazolium Cl3-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIA2-(3-benzyl-4-methyl-thiazol-3-ium-5-yl)ethanol
3-benzyl-5-(2- hydroxyethyl)-4-methylthiazolium chloride2-[4-methyl-3-benzyl-1,3-thiazol-5-yl]ethan-1-ol, chlorideThiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chlorideSCHEMBL213373-BENZYL-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUMDTXSID509634192-(3-benzyl-4-methyl-1,3-th2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol chloride
데이터베이스 식별자
- CAS
4568-71-2- PubChem CID
- 2833352
- DTXSID
DTXSID50963419- EC Number
- 224-947-6
물성
구조 계산 물성
- 극성 표면적
- 52.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 206
물리화학적 성질
- 녹는점
- 142 · 142-144 °C(lit.)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 2 O, · sol H2O, MeOH, EtOH; slightly sol cold MeCN; insol ether, pentane
- 물리적 상태
- 결정성 분말
- 색상
- 하얀색
- 수용성
- 물에 용해됩니다.
- BRN
- 3788921 · 3788921
- InChI
- InChI=1S/C13H16NOS.ClH/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12;/h2-6,10,15H,7-9H2,1H3;1H/q+1;/p-1
- InChIKey
- IWSVLBKHBJGMAA-UHFFFAOYSA-M
- SMILES
- [N+]1(=CSC(CCO)=C1C)CC1=CC=CC=C1.[Cl-]
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]
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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationThiazolium, 5-(2-hydroxyethyl)-4-methyl-3-(phenylmethyl)-, chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29341000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride, aliphatic aldehydes undergo the acyloin condensation in the presence of this catalyst and mild base. It acts as a catalyst for the addition of aliphatic and heterocyclic aldehydes to α,β-unsaturated ketones, nitriles and esters.
상·하류 제품 정보
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하류 제품
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