4-(N,N-디메틸아미노)페닐보론산,피나콜에스테르

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

HCID 2758659

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 171364-78-6
표준 SMILES: CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: DGMLJJIUOFKPKB-UHFFFAOYSA-N
분자식: C14H22BNO2
평균 분자량: 247.14 g/mol
단동위원소 질량: 247.1743591

이름 및 식별자

우선 이름: N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC: N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
현지명: 4-(N,N-디메틸아미노)페닐보론산,피나콜에스테르
영어명: 4-(N,N-Dimethylamino)phenylboronic acid, pinacol ester
분자식: C14H22BNO2
분자량: 247.14

이름 및 동의어

171364-78-6N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineDTXSID60374436RefChem:359290DTXCID00325467675-013-34-(n,n-dimethylamino)phenylboronic acid, pinacol ester4-(Dimethylamino)phenylboronic Acid Pinacol EsterMFCD056638544-(n,n-dimethylamino)phenylboronic acid pinacol esterSCHEMBL30520Z1336745082

이름 더 보기

4-(N,N-디메틸아미노)페닐보론산,피나콜에스테르4-(Dimethylamino)benzeneboronic acid pinacol esterN,N-DiMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)anilN,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline>N,N-DIMETHYL[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]AMINE

N,N-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)anilinedimethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amine4-(N,N-Dimethylamino)phenylboronic acid, pinacol ester, AldrichCPR2-[4-(Dimethylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-(n,n-dimethylamino)phenylboronic acid,pinacol ester(4-(DIMETHYLAMINO)PHENYL)BORONIC ACID PINACOL ESTERAKOS015950766AB21959

데이터베이스 식별자

CAS: 171364-78-6
PubChem CID: 2758659
DTXSID: DTXSID60374436
EC Number: 675-013-3
Nikkaji: J902.926E

물성

구조 계산 물성

극성 표면적: 21.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 280

물리화학적 성질

녹는점: 122 · 122-123°C
끓는 점: 347.1 · 347.1±25.0 °C(Predicted)
밀도: 1.01 · 1.01±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.66 · 4.66±0.24(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7-10H,1-6H3
InChIKey: DGMLJJIUOFKPKB-UHFFFAOYSA-N
SMILES: C1(N(C)C)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.