2-아미도페닐 붕소산 피나콜 에스테르

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

HCID 2734652CAS 191171-55-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)OB(c2ccccc2N)OC1(C)C
InChIKey: ZCJRWQDZPIIYLM-UHFFFAOYSA-N
분자식: C12H18BNO2
평균 분자량: 219.09 g/mol
단동위원소 질량: 219.14305922

이름 및 식별자

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

이름 및 동의어

191171-55-82-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID50370422RefChem:84285DTXCID30321457626-344-72-Aminophenylboronic acid pinacol esterMFCD021794482-aminophenylboronic acid, pinacol ester2-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilineBenzenamine, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-aminobenzeneboronic acid pinacol ester

이름 더 보기

2-아미도페닐붕소산피나콜에스테르2-아미노벤젠보로산 피나콜 에스터an-2-yLCAS:191171-55-8-1,3,2-dioxaboroL2-(4,4,5,5-TetramethyL2-Aminophenylboronic A2-DIOXABOROLAN-2-YL)ANILINE2-Aminobenzeneboronic acid pin2-Aminophenylboronic acid picol ester

(2-aminophenyl)boronic acid pinacol esterAKOS005256282AS-3013SY0080612-(2-AMINOPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANEEN300-1951882-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenylamine2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;2-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;2-AMINOPHENYLBORONIC ACID, PINACOL ESTER;2-AMINOBENZENEBORONIC ACID PINACOL ESTER;2-Aminobenzeneboronic acid pinacol cyclic ester;2-Aminophenylboronic a

데이터베이스 식별자

CAS: 191171-55-8
PubChem CID: 2734652
DTXSID: DTXSID50370422
EC Number: 626-344-7
Nikkaji: J1.486.110F

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: 252

물리화학적 성질

녹는점: 63 · 63-68 °C (lit.)
끓는 점: 125 °C/1.5mmHg · 125°C/1.5mmHg(lit.)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.51 · 3.51±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 크림색
수용성: 불용성
BRN: 8548809 · 8548809
InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
InChIKey: ZCJRWQDZPIIYLM-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC=C1B1OC(C)(C)C(C)(C)O1

화학적 성질

cream 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29310099
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in synthesis of: Indolo[3,4-cd]benzazepines via Pictet-Spengler-type cyclizations Antimicrobial amphiphilic aryl peptideomimetics Pyridoquinazolines and benzo[h] naphthyridines via intramolecular electrophilic substitution reaction