기본 정보
- 표준 SMILES
C[Si](C)(O)c1ccccc1- InChIKey
FDTBETCIPGWBHK-UHFFFAOYSA-N- 분자식
- C8H12OSi
- 평균 분자량
- 152.26 g/mol
- 단동위원소 질량
- 152.06574153
이름 및 식별자
- 우선 이름
- Silanol, 1,1-dimethyl-1-phenyl-
- IUPAC
- hydroxy-dimethyl-phenylsilane
- 영어명
- DIMETHYLPHENYLSILANOL
- 분자식
- C8H12OSi
- 분자량
- 152.27
이름 및 동의어
DimethylphenylsilanolSilanol, dimethylphenyl-Silanol, 1,1-dimethyl-1-phenyl-RefChem:885389693-848-15272-18-4PhenyldimethylsilanolDIMETHYL(PHENYL)SILANOLhydroxy-dimethyl-phenylsilaneMFCD08276879SCHEMBL28912DTXSID3063750
이름 더 보기
DK804Dimethylphenylsilanol 95%Dimethylphenylsilanol,97%PhenylhydroxydimethylsilaneHydroxyphenyldimethylsilaneHydroxydimethylphenylsilane
AKOS025295425AS-57555D5571C8H12OSiPhenyldimethylsilanol, Dimethylphenylsilanol, Silanol, dimethylphenyl-, 667110_ALDRICH, Silanol, 1,1-dimethyl-1-phenyl-, CID78929, 5272-18-4dimethyl-phenyl-silanolHydroxydimethylphenylsilDimethylphenylsilanol, 95%
데이터베이스 식별자
- CAS
5272-18-4- PubChem CID
- 78929
- DTXSID
DTXSID3063750- ChEMBL
CHEMBL4240136- EC Number
- 693-848-1
- Nikkaji
- J421.751I
물성
구조 계산 물성
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 106
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
물리화학적 성질
- 끓는 점
- 60 · 60-62°C/0.5mm
- 밀도
- 0.975 g/mL · 0.975 g/mL at 25 °C
- 굴절률
- 20 · n 20/D 1.514
- 인화점
- 197 °F · 197 °F
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 14.17 · 14.17±0.53(Predicted)
- 물리적 상태
- solid
- Specific Gravity
- 0.97 · 0.97
- InChI
- 1S/C8H12OSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7,9H,1-2H3
- InChIKey
- FDTBETCIPGWBHK-UHFFFAOYSA-N
- SMILES
- C[Si](C)(O)c1ccccc1
- EPA
- Silanol, dimethylphenyl- (5272-18-4)
화학적 성질
DIMETHYLPHENYLSILANOL is Colorless or yellowish transparent liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29310099
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationSilanol, 1,1-dimethyl-1-phenyl-: ACTIVE
응용 분야
용도DIMETHYLPHENYLSILANOL is a useful silicon nucleophile for Pd-catalyzed cross-coupling.1
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