2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

HCID 2734649

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 269410-25-5
표준 SMILES: Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1O
InChIKey: TYCKOBOJYNRIBO-UHFFFAOYSA-N
분자식: C14H21BO3
평균 분자량: 248.13 g/mol
단동위원소 질량: 248.15837493

이름 및 식별자

우선 이름: 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC: 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
영어명: 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
분자식: C14H21BO3
분자량: 248.13

이름 및 동의어

269410-25-52,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolDTXSID20370419RefChem:248478DTXCID50321454671-675-2MFCD020937244-Hydroxy-3,5-dimethylphenylboronic acid pinacol ester3,5-Dimethy-4-hydroxyphenylboronic acid pinacol ester3,5-dimethyl-4-hydroxybenzeneboronic acid, pinacol esterAB10819PS-9710

이름 더 보기

2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-3,5-DIMETHYL-4-HYDROXYPHENYLBORONIC ACID PINACOL ESTER4-HYDROXY-3,5-DIMETHYLPHENYLBORONIC ACID, PINACOL ESTER4-Hydroxy-3,5-dimethylphenylboronic acid pinacol ester 97%4-HYDROXY-3,5-DIMETHYL-4-PHENYLBORONIC ACID, PINACOL ESTER4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,6-XYLENOL4-HYDROXY-3,5-DIMETHYLPHENYLBORONIC ACID, PINACOL CYCLIC ESTER

2,6-dimethylphenol-4-boronic acid pinacol esterSCHEMBL1775712-(4-Hydroxy-3,5-dimethylphen2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol3,5-DIMETHYL-4-HYDROXYPHENYLBORONIC ACID, PINACOL ESTERUKA410252,6-dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenolAKOS015894338

데이터베이스 식별자

CAS: 269410-25-5
PubChem CID: 2734649
DTXSID: DTXSID20370419
EC Number: 671-675-2

물성

구조 계산 물성

극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 288

물리화학적 성질

녹는점: 100 · 100-105 °C (lit.)
끓는 점: 367.3 · 367.3±42.0 °C(Predicted)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
수용성: 물에 불용성
산도 계수 (pKa): 10.36 · 10.36±0.40(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 베이지색
InChI: 1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChIKey: TYCKOBOJYNRIBO-UHFFFAOYSA-N
SMILES: Cc1cc(cc(C)c1O)B2OC(C)(C)C(C)(C)O2

화학적 성질

white to beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.