5-아미노-2-메틸페닐보론산,피나콜에스테르

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

HCID 16086089CAS 882670-69-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1
InChIKey: HPNBWHDRLCVZFV-UHFFFAOYSA-N
분자식: C13H20BNO2
평균 분자량: 233.12 g/mol
단동위원소 질량: 233.15870928

이름 및 식별자

우선 이름: 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
현지명: 5-아미노-2-메틸페닐보론산,피나콜에스테르
영어명: 5-AMINO-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER
분자식: C13H20BNO2
분자량: 233.11

이름 및 동의어

882670-69-14-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID80582076RefChem:294288DTXCID50532841623-049-55-AMINO-2-METHYLPHENYLBORONIC ACID, PINACOL ESTER5-Amino-2-methylphenylboronic acid pinacol esterMFCD05663859AKOS007930614AB21963(5-AMINO-2-METHYLPHENYL)BORONIC ACID PINACOL ESTER

이름 더 보기

5-아미노-2-메틸페닐보론산,피나콜에스테르5-Amino-2-methylphenylboronic acid pinacol ester 97%4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anil...4,4,5,5-TetraMethyl-2-(5-aMino-2-Methylphenyl)-1,3,2-dioxaborolane4-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamineBenzenamine, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen 5-amino-2-methylphenylboronate5-Amino-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenamine

CS-00306104-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENAMINE5-Amino-2-methylphenylboronic acid pinacol ester, 97%Z2044807984SCHEMBL3935945-AMINO-2-METHYLPHENYLBORONICACID,PINACOLESTERSCHEMBL294272664-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

데이터베이스 식별자

CAS: 882670-69-1
PubChem CID: 16086089
DTXSID: DTXSID80582076
EC Number: 623-049-5

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: 17
형식 전하: 0
복잡도: 277

물리화학적 성질

녹는점: 82 · 82-86°C
끓는 점: 366.2 · 366.2±35.0 °C(Predicted)
밀도: 1.03 · 1.03
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
산도 계수 (pKa): 5.01 · 5.01±0.10(Predicted)
InChI: InChI=1S/C13H20BNO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChIKey: HPNBWHDRLCVZFV-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C)C(B2OC(C)(C)C(C)(C)O2)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.