TRANS-1-PROPEN-1-일보론산

((1E)-prop-1-en-1-yl)boronic acid

HCID 6157276

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7547-97-9
표준 SMILES: C/C=C/B(O)O
InChIKey: CBMCZKMIOZYAHS-NSCUHMNNSA-N
분자식: C3H7BO2
평균 분자량: 85.9 g/mol

이름 및 식별자

우선 이름: ((1E)-prop-1-en-1-yl)boronic acid
IUPAC: [(E)-prop-1-enyl]boronic acid
현지명: TRANS-1-PROPEN-1-일보론산
영어명: trans-1-Propen-1-ylboronic acid
분자식: C3H7BO2
분자량: 85.9

이름 및 동의어

7547-97-9[(1E)-PROP-1-EN-1-YL]BORONIC ACID((1E)-prop-1-en-1-yl)boronic acidRefChem:389515846-628-6trans-1-Propen-1-ylboronic acidtrans-1-Propen-1-yl-boronic acid(E)-Prop-1-en-1-ylboronic acidProp-1-en-1-ylboronic acid[(E)-prop-1-enyl]boronic acid(E)-Prop-1-enylboronic acidtrans-Propenylboronic acid

이름 더 보기

TRANS-1-PROPEN-1-일보론산Trans-1-Propen-1-yLAntipolypropylene boric acid(E)-1-propen-1-yl-boronicacidrans-1-Propen-1-ylboronic acid

trans-1-Propeneboronic acidMFCD02179501C3H7BO26336-44-3trans-1-Propenylboronic acid(prop-1-en-1-yl)boronic acidtrans-1-Propene-1-boronic Acid(E)-1-Propen-1-ylboronic acid

데이터베이스 식별자

CAS: 7547-97-9
PubChem CID: 6157276
EC Number: 846-628-6
Nikkaji: J2.114.299I、J2.469.403H

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: 6
형식 전하: 0
복잡도: 50.8

물리화학적 성질

녹는점: 123 · 123-127 °C(lit.)
끓는 점: 175.6 · 175.6±23.0 °C(Predicted)
밀도: 0.972 g/cm3 · 0.972 g/cm3(Temp: 19 °C)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(아주 약간 용해됨, 가열됨), 메탄올(아주 약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.8 · 9.80±0.43(Predicted)
색상: 페일베이지
InChI: InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2+
InChIKey: CBMCZKMIOZYAHS-NSCUHMNNSA-N
SMILES: C(=C/C)\B(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2931900090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Reactant for:Palladium-phosphine-catalyzed Suzuki-Miyaura coupling reactionsCu(II)-mediated Ullmann-type couplingReactant for preparation of:Alkynylphenoxyacetic acids as DP2 receptor antagonists for treatment of allergic inflammatory diseasesTetrahydrobenzothiophenes as conformationally restricted enol-mimic inhibitors of type II dehydroquinase via Paal-Knorr synthesis involving Suzuki couplingHighly substituted benzannulated cyclooctanol derivatives by samarium diiodide-mediated cyclizationStereospecific dienes via nickel-catalyzed three-component reductive coupling with alkynes and enones