(1-Phenylvinyl)boronic acid

HCID 5003684

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14900-39-1
표준 SMILES: C=C(B(O)O)c1ccccc1
InChIKey: YJCPVMYUISTDKG-UHFFFAOYSA-N
분자식: C8H9BO2
평균 분자량: 147.97 g/mol
단동위원소 질량: 148.0695597

이름 및 식별자

우선 이름: (1-Phenylvinyl)boronic acid
IUPAC: 1-phenylethenylboronic acid
영어명: 1-Phenylvinylboronic acid
분자식: C8H9BO2
분자량: 147.97

이름 및 동의어

(1-Phenylvinyl)boronic acidRefChem:392480807-828-91-Phenylvinylboronic acid14900-39-11-phenylethenylboronic AcidMFCD01074578(1-Phenylvinyl)boronicacidalpha-Phenyl vinylboronic acid(1-PHENYLETHENYL)BORONIC ACID1-phenyl-vinylboronic acidSCHEMBL101826

이름 더 보기

RARECHEM AH PB 0200Styrene α-boronic acida-Phenylvinylboronic acidAlpha-Phenyl Vinylboronicα-phenyl vinylboronic acid(1-Phenylvinyl)boronicacid95%1-Phenylvinylboronic acid 95%

1-Phenylvinylboronic acid, 95%a-Methylene-a-tolueneboronic acidDTXSID50407429STYRENE ALPHA-BORONIC ACID(1-Phenylethen-1-yl)boronic acidSBB071111AKOS015840592AB08051

데이터베이스 식별자

CAS: 14900-39-1
PubChem CID: 5003684
DTXSID: DTXSID50407429
EC Number: 807-828-9
Nikkaji: J1.678.616K

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 125 °C · 125 °C (dec.) (lit.)
끓는 점: 321.1 · 321.1±35.0 °C(Predicted)
밀도: 1.09 · 1.090±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.98 · 8.98±0.43(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C8H9BO2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6,10-11H,1H2
InChIKey: YJCPVMYUISTDKG-UHFFFAOYSA-N
SMILES: B(C(C1=CC=CC=C1)=C)(O)O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2931900090
hazard_code: Xi
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant involved in:Halogenation of alkynes for preparation of enol estersLiebeskind-Srogl cross-couplingHomocoupling of arylboronic acids for synthesis of biarylsIterative cross-coupling of boronate building blocksEnantioselective hydrogenation of hydroxyphenyl styrenesSamarium diiodide-mediated cyclization for synthesis of substituted benzannulated cyclooctanol derivativesSuzuki-Miyaura cross-coupling for synthesis of C-6-substituted uridine phosphonates