4-(Diphenylamino)phenylboronic Acid (contains varying amounts of Anhydride)

HCID 12166934

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 201802-67-7
표준 SMILES: OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIKey: TWWQCBRELPOMER-UHFFFAOYSA-N
분자식: C18H16BNO2
평균 분자량: 289.1 g/mol
단동위원소 질량: 289.12740915

이름 및 식별자

우선 이름: 4-(Diphenylamino)phenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: [4-(N-phenylanilino)phenyl]boronic acid
영어명: 4-(Diphenylamino)phenylboronic acid
분자식: C18H16BNO2
분자량: 289.14

이름 및 동의어

4-(Diphenylamino)phenylboronic acid (contains varying amounts of Anhydride)RefChem:516021627-214-24-(Diphenylamino)phenylboronic acid201802-67-7[4-(N-phenylanilino)phenyl]boronic acid4-(Diphenylamino)benzeneboronic acid(4-(diphenylamino)phenyl)boronic acidTriphenylamine-4-boronic AcidBoronic acid, B-[4-(diphenylamino)phenyl]-MFCD06798117[4-(Diphenylamino)phenyl]boronic acid

이름 더 보기

4-(N,N-Diphenylamino)-1-phenylboronic acid4-BATPACAS:201802-67-74-(Diphenylamino)phe4-borate triphenylamine4-(Dipheny|amino)pheny|boronic acid4-(N-phenylanilino)phenyl]boronicaci

C18H16BNO24-(N,N-Diphenylamino)phenylboronic acid4-Diphenylamino-phenylboronic acid4-(diphenylamino) phenylboronic acidAKOS015840670D3537Z32348067284-(Diphenylamino)phenylboronic Acid, (contains varying amounts of Anhydride)

데이터베이스 식별자

CAS: 201802-67-7
PubChem CID: 12166934
DTXSID: DTXSID80479033
EC Number: 627-214-2
Nikkaji: J2.177.452I

물성

구조 계산 물성

극성 표면적: 43.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 301

물리화학적 성질

녹는점: 110 · 110-115 °C (lit.)
끓는 점: 484.5 · 484.5±47.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됨
산도 계수 (pKa): 8.71 · 8.71±0.17(Predicted)
물리적 상태: 가루
색상: White to Dark green
InChI: InChI=1S/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H
InChIKey: TWWQCBRELPOMER-UHFFFAOYSA-N
SMILES: B(C1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)(O)O

화학적 성질

White to light green solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 86.4% (38 of 44) of all reports.

Warning

H315 (11.4%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.