기본 정보
- 표준 SMILES
C#CC[Si](C)(C)C- InChIKey
ULYLMHUHFUQKOE-UHFFFAOYSA-N- 분자식
- C6H12Si
- 평균 분자량
- 112.24 g/mol
- 단동위원소 질량
- 112.07082691
이름 및 식별자
- 우선 이름
- Trimethyl-2-propynylsilane
- IUPAC
- trimethyl(prop-2-ynyl)silane
- 영어명
- PROPARGYLTRIMETHYLSILANE
- 분자식
- C6H12Si
- 분자량
- 112.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
13361-64-3- PubChem CID
- 83378
- DTXSID
DTXSID6065426- UNII
- L8BVJ8DGN6
- EC Number
- 236-427-6
- Nikkaji
- J213.873E
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
- 7
- 형식 전하
- 0
- 복잡도
- 88.5
물리화학적 성질
- 녹는점
- 148 · 148-151 °C(Solv: ethyl ether (60-29-7))
- 끓는 점
- 91 · 91-93 °C (lit.)
- 밀도
- 0.753 g/mL · 0.753 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.413(lit.)
- 인화점
- 13 °F · 13 °F
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 Cl2 · 졸 에테르, THF, CH2Cl2.
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- BRN
- 2036316 · 2036316
- InChI
- InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1H,6H2,2-4H3
- InChIKey
- ULYLMHUHFUQKOE-UHFFFAOYSA-N
- SMILES
- [Si](C)(C)(C)CC#C
- EPA
- -2 · Silane, trimethyl-2-propynyl- (13361-64-3)
화학적 성질
Clear yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- HS 번호
- 29310099
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36
- 포장분류
- II
- 위험 등급
- 3.1
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도3-Trimethylsilyl-1-propyne is used as propargylation agent; allenylation agent; can give addition reactions on the triple bond. It takes part in the following reactions: Propargylation Reactions, Alkylation Reactions, Reactions with Epoxides,Reactions with Aldehydes and Ketones, Reactions with Chloroformates, Reactions with Polyoxymethylene and Amines, Allenylation Reactions, Substitution Reactions, Reactions with Acetals and Hemiacetals, Reactions with Aldehydes and Ketones, Reactions with in situ Generated Iminium and α-Acyl Iminium Ions, Reactions with Acid Chlorides, Reactions with Conjugated Heteroatomic Systems, Reactions of the Triple Bond etc.
일반 설명Trimethyl(propargyl)silane (2-Propynyl-trimethylsilane) is a clear colorless liquid and contains 500ppm of butylated hydroxytoluene (BHT) as stabilizer. It undergoes GaCl3-catalyzed dehydrogenation reaction with aldimines to afford 4-methylquinoline.
제조 방법
The main method of preparation is shown in eq 1. The title reagent can be obtained by other methods, but in poor yields.
상·하류 제품 정보
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