기본 정보
- 표준 SMILES
C[Si](C)(C)c1ccccc1OS(=O)(=O)C(F)(F)F- InChIKey
XBHPFCIWRHJDCP-UHFFFAOYSA-N- 분자식
- C10H13F3O3SSi
- 평균 분자량
- 298.36 g/mol
- 단동위원소 질량
- 298.03067647
이름 및 식별자
- 우선 이름
- 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
- IUPAC
- (2-trimethylsilylphenyl) trifluoromethanesulfonate
- 현지명
- 2-(트리메틸실릴)페닐트리플루오로로메테인설포네이트
- 영어명
- 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
- 분자식
- C10H13F3O3SSi
- 분자량
- 298.35
이름 및 동의어
2-(Trimethylsilyl)phenyl trifluoromethanesulfonate88284-48-4DTXSID00391985RefChem:254971DTXCID50342846629-383-8(2-trimethylsilylphenyl) trifluoromethanesulfonate2-(Trimethylsilyl)phenyl TriflateMFCD00799598C10H13F3O3SSi2-(Trimethylsilyl)phenyltrifluoromethanesulfonateAKOS015856668
이름 더 보기
2-(트리메틸실릴)페닐트리플루오로로메테인설포네이트DK943DKSI110DKFELEX0252TriMethylsilyl)phenyl trifluoroMethanesulfona2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFOTE2-(trimethylsilyl)phenyl trifluoromethane-sulfona2-(TriMethylsilyl)phenyl trifluoroMethanesulfonate 97%
DS-16426SY057456Trifluoromethanesulfonic Acid 2-(Trimethylsilyl)phenyl Ester2-(Trimethylsilyl)phenyl trifluoromethanesulfonate, 97%(TRIMETHYLSILYL)PHENYL TRIFLATE2-(TrimMethanesulfonic acid, trifluoro-, 2-(trimethylsilyl)phenyl esterSCHEMBL1713611
데이터베이스 식별자
- CAS
88284-48-4- PubChem CID
- 3384007
- DTXSID
DTXSID00391985- EC Number
- 629-383-8
- Nikkaji
- J1.151.519C
물성
구조 계산 물성
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 381
물리화학적 성질
- 끓는 점
- 70 °C/2 · 70 °C/2 mmHg (lit.)
- 밀도
- 1.229 g/mL · 1.229 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.456(lit.)
- 인화점
- 205 °F · 205 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- Specific Gravity
- 1.229 · 1.229
- InChI
- InChI=1S/C10H13F3O3SSi/c1-18(2,3)9-7-5-4-6-8(9)16-17(14,15)10(11,12)13/h4-7H,1-3H3
- InChIKey
- XBHPFCIWRHJDCP-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)S(OC1=CC=CC=C1[Si](C)(C)C)(=O)=O
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29319090
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- 포장분류
- Ⅱ
- 위험 등급
- 8
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도2-(Trimethylsilyl)phenyl trifluoromethanesulfonate may be used to generate benzyne under mild conditions of simple fluoride treatment at room temperature.
일반 설명2-(Trimethylsilyl)phenyl trifluoromethanesulfonate is an important ortho-benzyne precursor in aryne chemistry.
상·하류 제품 정보
상류 원료
하류 제품
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