CAS 854952-58-2 9-Phenyl-9H-carbazole-3-boronic acid (HCID 51358450)

기본 정보

CAS: 854952-58-2
표준 SMILES: OB(O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIKey: JWJQEUDGBZMPAX-UHFFFAOYSA-N
분자식: C18H14BNO2
평균 분자량: 287.1 g/mol
단동위원소 질량: 287.11175909

이름 및 식별자

우선 이름: 9-Phenyl-9H-carbazole-3-boronic acid
IUPAC: (9-phenylcarbazol-3-yl)boronic acid
현지명: 9-페닐-9H-카르바졸-3-일보론산
영어명: 9-Phenyl-9H-carbazol-3-ylboronic acid
분자식: C18H14BNO2
분자량: 287.12

이름 및 동의어

9-phenyl-9H-carbazole-3-boronic acidRefChem:549890691-972-0854952-58-2(9-Phenyl-9H-carbazol-3-yl)boronic acid9-Phenyl-9H-carbazol-3-ylboronic acid9-Phenyl-3-carbazoleboronic Acid(9-phenyl)carbazole-3-boronic acid(9-phenylcarbazol-3-yl)boronic acidB-(9-Phenyl-9H-carbazol-3-yl)boronic acid9-phenylcarbazole-3-boronic acidMFCD12196936

이름 더 보기

9-페닐-9H-카르바졸-3-일보론산3-BAPCPCZ-BOHPC-B(OH)2-3-carbazoL9-Phenyl-9H-carbazol-3-ylborN-phenyl-3-oxazole boric acid3-Borono-9-phenyl-9H-carbazole

N-phenylcarbazol-3-boronic acidSCHEMBL260470CS-W020553SY0226369-Phenylcarbazole-3-boronic acid (contains varying amounts of Anhydride)9-Phenylcarbazole-3-boronic Acid;9-Phenyl-3-carbazoleboronic acidN-phenylcarbazole-3-boronic acidBoronic acid, (9-phenyl-9H-carbazol-3-yl)-

데이터베이스 식별자

CAS: 854952-58-2
PubChem CID: 51358450
DTXSID: DTXSID90679966
EC Number: 691-972-0
Nikkaji: J2.361.172D

물성

구조 계산 물성

극성 표면적: 45.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 22
형식 전하: 0
복잡도: 385

물리화학적 성질

녹는점: 263 °C · >263°C (dec.)
끓는 점: 466 · 466.0±51.0 °C(Predicted)
밀도: 1.2 · 1.20
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 가열, 초음파 처리)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 8.85 · 8.85±0.30(Predicted)
색상: 흰색에서 황백색까지
수용성: 물에 약간 용해됩니다.
안정성: 흡습성
InChI: InChI=1S/C18H14BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12,21-22H
InChIKey: JWJQEUDGBZMPAX-UHFFFAOYSA-N
SMILES: B(C1=CC2C3=C(N(C4=CC=CC=C4)C=2C=C1)C=CC=C3)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.