9-Anthraceneboronic 산

9-Anthraceneboronic Acid

HCID 15510213

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 100622-34-2
표준 SMILES: OB(O)c1c2ccccc2cc2ccccc12
InChIKey: VHHDLIWHHXBLBK-UHFFFAOYSA-N
분자식: C14H11BO2
평균 분자량: 222.05 g/mol
단동위원소 질량: 222.08520999

이름 및 식별자

우선 이름: 9-Anthraceneboronic Acid
IUPAC: anthracen-9-ylboronic acid
현지명: 9-Anthraceneboronic 산
영어명: 9-Anthraceneboronic acid
분자식: C14H11BO2
분자량: 222.05

이름 및 동의어

9-anthraceneboronic acidRefChem:549174626-419-4100622-34-2anthracen-9-ylboronic acidAnthracene-9-boronic acid9-Anthracenylboronic acid9-ANTHRYLBORONIC ACIDBoronic acid, B-9-anthracenyl-(anthracen-9-yl)boronic acid9-anthraceneboronicacidMFCD03425925

이름 더 보기

9-Anthraceneboronic산DKI84CAS:100622-34-29-Anthracenylboronic9-Anthrylboronicacid9-anthracene-boronic9-Anthraceneboronicl

9-boronoanthracene9-borono-anthraceneDTXSID805735009-Anthraceneboronic acid, >=95.0%SY0322039-Anthracene boronic acid9-Anthraceneboronic Acid (contains varying amounts of Anhydride)Boronic acid, 9-anthracenyl-

데이터베이스 식별자

CAS: 100622-34-2
PubChem CID: 15510213
DTXSID: DTXSID80573500
EC Number: 626-419-4
Nikkaji: J1.614.373A

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 247

물리화학적 성질

녹는점: 203 · 203-250 °C
끓는 점: 479.5 · 479.5±28.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.53 · 8.53±0.30(Predicted)
물리적 상태: 결정질 고체
색상: 흰색에서 황갈색까지
BRN: 3301031 · 3301031
InChI: InChI=1S/C14H11BO2/c16-15(17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,16-17H
InChIKey: VHHDLIWHHXBLBK-UHFFFAOYSA-N
SMILES: C1=C2C(C=C3C(=C2)C=CC=C3)=CC=C1B(O)O

화학적 성질

Tan solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (93.2%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 2811 6.1/PG 3
HS 번호: 29319090
risk_code: 36/37/38-25
hazard_code: T
safety_code: 26-36-45
포장분류: Ⅲ
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

화학 및 산업

응용 분야 · 2건

개요9-Anthraceneboronic acid is a boronic acid compound mainly used as an organic synthesis and reaction reagent. The addition of 9-Anthraceneboronic acid introduces a borate ester bond and an anthracene functional group into ordinary polyvinyl alcohol, which can be used to prepare the composite material poly(vinyl alcohol) anthraceneboronic acid (PVA-ABA), which is suitable for sustainable engineering applications due to its high mechanical strength and toughness, good water resistance, chemical durability, and ease of recycling. It can also be used to prepare stimuli-responsive polymeric materials and highly efficient luminescent materials.

용도suzuki reaction