기본 정보
- 표준 SMILES
CC(C)(C)[Si](C)(C)Cl- InChIKey
BCNZYOJHNLTNEZ-UHFFFAOYSA-N- 분자식
- C6H15ClSi
- 평균 분자량
- 150.72 g/mol
- 단동위원소 질량
- 150.06315469
개요
Tert-butyldimethylsilyl chloride is a silyl chloride consisting of a central silicon atom covalently bound to one chloro, one tert-butyl and two methyl groups. tert-Butyldimethylsilyl chloride is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent.
이름 및 식별자
- 우선 이름
- tert-Butyldimethylsilyl chloride
- IUPAC
- tert-butyl-chloro-dimethylsilane
- 현지명
- 터트-뷰틸클로로다이메틸실란
- 영어명
- tert-Butyldimethylsilyl chloride
- 분자식
- C6H15ClSi
- 분자량
- 150.72
이름 및 동의어
Tert-Butyldimethylsilyl chloride18162-48-6tert-Butyldimethylchlorosilanet-ButyldimethylchlorosilaneTBDMS chlorideSilane, chloro(1,1-dimethylethyl)dimethyl-Chloro-tert-butyldimethylsilane2-(chlorodimethylsilyl)-2-methylpropane550OPF5Z9FCHEBI:85071TBMCS cpdt-butyldimethylchlorsilane
이름 더 보기
삼차-뷰틸다이메틸실일클로라이드터트-뷰틸클로로다이메틸실란터트-부틸클로로디메틸실란터트-뷰틸클로로다이메틸실란(tert-BUTYLCHLORODIMETHYLSILANE)삼차-뷰틸다이메틸실일 클로라이드tert-부틸디메틸실릴클로라이드TBDMSCLTBSCITBDMSCItert-ButyldimethylsilylTBDMCl
RefChem:188237242-042-4tert-Butylchlorodimethylsilanetert-Butyl(chloro)dimethylsilaneTBSCltert-butyl-chloro-dimethylsilaneTBS-Clt-butyldimethylsilyl chloride
데이터베이스 식별자
- CAS
18162-48-6- PubChem CID
- 28928
- DTXSID
DTXSID4038843- ChEBI
CHEBI:85071- UNII
- 550OPF5Z9F
- EC Number
- 242-042-4
- Nikkaji
- J47.875J
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 81
실험 및 물리화학적 성질
Chemical ClassesToxic Gases & Vapors -> Chlorosilanes
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionWhite hygroscopic solid; [Merck Index] White crystals with a pungent odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 86 · 86-89 °C (lit.)
- 끓는 점
- 125 °C · 125 °C (lit.)
- 밀도
- 0.87 g/mL · 0.87 g/mL at 20 °C(lit.)
- 증기압
- 60 · 60-710Pa at 25℃
- 굴절률
- 20 · n20/D 1.46
- 인화점
- 73 °F · 73 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- very sol nearly all common organic solvents such as THF, methylene chloride, and DMF.
- 물리적 상태
- 흰색 고체
- 색상
- 하얀색
- Specific Gravity
- 1.225 · 1.225
- 수용성
- 클로로포름과 에틸 아세테이트에 용해됩니다. 물에 불용성.
- BRN
- 505999 · 505999
- InChI
- 1S/C6H15ClSi/c1-6(2,3)8(4,5)7/h1-5H3
- InChIKey
- BCNZYOJHNLTNEZ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)[Si](C)(C)Cl
- LogP
- 2.5 at · 2.5 at 20℃
- NIST
- Silane, chloro(1,1-dimethylethyl)dimethyl-(18162-48-6)
- EPA
- Silane, chloro(1,1-dimethylethyl)dimethyl- (18162-48-6)
화학적 성질
tert-Butyldimethylsilyl chloride is a colorless or white solid that is soluble in many organic solvents but reacts with water and alcohols.It is an organosilicon compound that can be used as a versatile protecting reagent for alcohols, amines, amides, and various carboxylic acids.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 23.7% (56 of 236) of reports.
Danger
H228 (57.6%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 236 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Silane, chloro(1,1-dimethylethyl)dimethyl-
Status: Active Update: 30-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28118
Silane, t-butylchlorodimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes decreased immune response in intraperitoneal lethal-dose studies of mice (LDLo = 1,000 mg/kg); [RTECS] Corrosive; [Merck Index] Reacts with water producing hydrochloric acid; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Alfa Aesar MSDS] See Chlorotrimethylsilane.
Hazard Classes and CategoriesFlam. Sol. 1 (57.6%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- VV2000000
- ridadr
- UN 2925 4.1/PG 2
- 독성
- mouse,LDLo,intraperitoneal,1gm/kg (1000mg/kg),IMMUNOLOGICAL INCLUDING ALLERGIC: DECREASED IMMUNE RESPONSE,Personal Communication from G.D. Stoner, Dept. of Community Medicine, School of Medicine, Univ. of California, La Jolla, CA 92037, May 25, 1975Vol. 27MAY1975,
- HS 번호
- 29310095
- risk_code
- 22-35-40-34-10-19-11-67-65-63-48/20-20/21/22-45-23/24/25-37-36/37/38
- hazard_code
- C,F,T,Xn
- safety_code
- 26-36/37/39-46-62-45-25-16-28-27-33-29-53-36/37
- 포장분류
- III
- 위험 등급
- 4.1
- 기존화학 물질
- 97-3-163
- F 고인화성물질
- 10-21
- 위험 참고 사항
- Flammable/Corrosive/Moisture Sensitive
- Hazard Classifications
- Aquatic Chronic 2Eye Dam. 1Flam. Sol. 1Skin Corr. 1A
- 스토리지 클래스
- 4.1B - Flammable solid hazardous materials
화학 및 산업
용도 및 제조
UsesUsed as a reagent; [Merck Index]
General Manufacturing InformationSilane, chloro(1,1-dimethylethyl)dimethyl-: ACTIVE
제조 방법
tert-butyldimethylsilyl chloride (TBSCI) was synthesized by the reaction of tert-butyllithium with dichlorodimethylsilane.The pentane solution of dichlorodimethylsilane was cooled to 0°C, and the pentane solution of tert-butyllithium was added dropwise with stirring under nitrogen. The temperature was maintained at 0 °C, stirred for 1.5 h and then heated to 25 °C, and the reaction was continued for 48 h. Distillation, collect 125 ℃ (97.5kPa) fractions, stand to solidify, and obtain tert-butyldimethylsilyl chloride. Yield 70%.
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추가 설명
정의ChEBI: Tert-butyldimethylsilyl chloride is a silyl chloride consisting of a central silicon atom covalently bound to one chloro, one tert-butyl and two methyl groups. tert-Butyldimethylsilyl chloride is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent.
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