CAS 214360-73-3 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (HCID 2734620)

이름 및 식별자

우선 이름: 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
현지명: 4-아미노페닐 붕소산 피나콜 에스테르
영어명: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
분자식: C12H18BNO2
분자량: 219.09

이름 및 동의어

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilineRefChem:516993629-061-7214360-73-34-Aminophenylboronic acid pinacol ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineMFCD020937214-Aminophenylboronic acid, pinacol ester(4-aminophenyl)boronic acid pinacol ester4-aminophenylboronic acid pinacolate4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine4-aminobenzeneboronic acid, pinacol ester

이름 더 보기

4-아미노페닐붕소산피나콜에스테르4-Aminophenylboronic acid pinacol ester 97%4-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenylaMineCAS:214360-73-3BenzenaMine, 4-(4,4,5,5-te4-Aminophenylboronic acid pinacolTriamcinolone Acetonide Impurity 13

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYLAMINE4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-aniline[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-(4-Aminophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneamine; 4-Aminophenylboronic Acid Pinacol Ester2-(4-AMINOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-Y)ANILINE;4-AMINOPHENYLBORONIC ACID PINACOLATE;4-AMINOPHENYLBORONIC ACID PINACOL CYCLIC ESTER;4-AMPinacol cyclic esterBENZENAMINE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-SCHEMBL55445

데이터베이스 식별자

CAS: 214360-73-3
PubChem CID: 2734620
DTXSID: DTXSID30370400
EC Number: 629-061-7
Nikkaji: J2.124.758H

물성

구조 계산 물성

극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 244

물리화학적 성질

녹는점: 165 · 165-169 °C (lit.)
끓는 점: 340 · 340.0±25.0 °C(Predicted)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
산도 계수 (pKa): 4.24 · 4.24±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에 가까운 밝은 베이지색
수용성: 불용성
InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,14H2,1-4H3
InChIKey: ZANPJXNYBVVNSD-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

화학적 성질

almost white to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.9%): 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 47 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is an important organic reagent with an appearance ranging from white to yellow to orange powder to crystal. This compound can be used as a chemical reaction reagent or for preparing fluorescent probes.

용도4-Aminophenylboronic acid pinacol ester can be used as a reagent for:The preparation of substituted 3-phenyl-4H-1-benzopyran-4-ones by reacting with iodochromones via Pd catalyzed Suzuki-Miyaura cross-coupling reaction. Mercury(II) detection by fluorometry with new fluorogenic indicators based on through-bond energy transfer from pentaquinone to rhodamine. Rhodium-catalyzed amination reactions. Palladium-catalyzed Suzuki cross-coupling to synthesize potential antitubercular and antimicrobial compounds. It can also be used to prepare: Hexaphenylbenzene derivatives as a potential bioprobe and multichannel keypad system.Pyromellitic diimide-based polymer as matrix for solution-processable n-channel field-effect transistors. Alternating copolymers of oligoarylenes and naphthalene bisimides as low band-gap semiconductors with electrochemical and spectroelectrochemical behavior. γ-secretase modulators in the treatment of amyloid β formation.