기본 정보
- CAS
269409-97-4- 표준 SMILES
CC1(C)OB(c2ccccc2O)OC1(C)C- InChIKey
VLROJECCXBBKPZ-UHFFFAOYSA-N- 분자식
- C12H17BO3
- 평균 분자량
- 220.07 g/mol
- 단동위원소 질량
- 220.1270748
이름 및 식별자
- 우선 이름
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- IUPAC
- 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- 영어명
- 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
- 분자식
- C12H17BO3
- 분자량
- 220.07
이름 및 동의어
269409-97-42-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolDTXSID50370402RefChem:251767DTXCID30321437671-854-52-Hydroxyphenylboronic acid pinacol esterMFCD020937542-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)phenol2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol2-(2-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanephenol, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
이름 더 보기
St5405622522554_Aldrich2-HYDROXYPHENYLBORONIC ACID, PINACOL ESTER2-HYDROXYBENZENEBORONIC ACID, PINACOL ESTER2-Hydroxyphenylboronic acid pinacol ester 98%2-HYDROXYPHENYLBORONIC ACID, PINACOL CYCLIC ESTER2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol,97%
2-Hydroxybenzeneboronic acid pinacol ester2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-phenol522554_ALDRICH, 2-Hydroxyphenylboronic acid pinacol ester, ST5405622, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 269409-97-4MY22UL2B7N(2-HYDROXYPHENYL)BORONIC ACID PINACOL ESTERSCHEMBL3338692-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenol2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
데이터베이스 식별자
- CAS
269409-97-4- PubChem CID
- 2734622
- DTXSID
DTXSID50370402- UNII
- MY22UL2B7N
- EC Number
- 671-854-5
- Nikkaji
- J2.079.576J
물성
구조 계산 물성
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 249
물리화학적 성질
- 끓는 점
- 282 °C · 282 °C(lit.)
- 밀도
- 1.05 g/mL · 1.05 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.506(lit.)
- 인화점
- 230 °F · 230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 수용성
- 물에 불용성
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.17 · 10.17±0.35(Predicted)
- 색상
- 옅은 노랑
- InChI
- 1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3
- InChIKey
- VLROJECCXBBKPZ-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccccc2O
화학적 성질
pale yellow to brown liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
안전 데이터
- wgk
- 3
- tsca
- No
- HS 번호
- 29319090
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)phenol can be widely used in Suzuki coupling chemistry.
상·하류 제품 정보
상류 원료
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