2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)ethanol

HCID 21886155

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1970977-56-0
표준 SMILES: CC1(C)OB(c2cccc(C(O)C(F)(F)F)c2)OC1(C)C
InChIKey: CDSZJUQQHUHGLH-UHFFFAOYSA-N
분자식: C14H18BF3O3
평균 분자량: 302.1 g/mol
단동위원소 질량: 302.1301091

이름 및 식별자

우선 이름: 2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)ethanol
IUPAC: 2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
영어명: 2,2,2-TRIFLUORO-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL
분자식: C14H18BF3O3
분자량: 302.1

이름 및 동의어

1970977-56-02,2,2-TRIFLUORO-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL3-(2,2,2-Trifluoro-1-hydroxyethyl)phenylboronic acid pinacol ester(3-(2,2,2-TRIFLUORO-1-HYDROXYETHYL)PHENYL)BORONIC ACID PINACOL ESTERMFCD187610202,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol2,2,2-Trifluoro-1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-ol2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-olSCHEMBL5841426VDD97756AKOS027331659AS-41519

이름 더 보기

Benzenemethanol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-α-(trifluoromethyl)-

SY258445DB-181512CS-0175658F331103(3-(2,2,2-Trifluoro-1-hydroxyethyl)pheny)boronic acid pinacolester2,2,2-Trifluoro-1-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-ethanolBenzenemethanol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-alpha-(trifluoromethyl)-

데이터베이스 식별자

CAS: 1970977-56-0
PubChem CID: 21886155
EC Number: 170-715-1
Nikkaji: J3.763.915J

물성

구조 계산 물성

극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 368

물리화학적 성질

끓는 점: 371 · 371.0±42.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 11.91 · 11.91±0.10(Predicted)
InChI: InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-6-9(8-10)11(19)14(16,17)18/h5-8,11,19H,1-4H3
InChIKey: CDSZJUQQHUHGLH-UHFFFAOYSA-N
SMILES: C(O)(C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사16 곳

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

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