2-FLUORO-4-(메톡시카르보닐)벤젠보론산

2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid

HCID 24824345CAS 603122-84-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(B(O)O)c(F)c1
InChIKey: BKWRLCIYMAYFPA-UHFFFAOYSA-N
분자식: C8H8BFO4
평균 분자량: 197.96 g/mol
단동위원소 질량: 198.04996736

이름 및 식별자

우선 이름: 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
IUPAC: (2-fluoro-4-methoxycarbonylphenyl)boronic acid
현지명: 2-FLUORO-4-(메톡시카르보닐)벤젠보론산
영어명: 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
분자식: C8H8BFO4
분자량: 197.96

이름 및 동의어

2-Fluoro-4-(methoxycarbonyl)benzeneboronic acidRefChem:472314692-879-8603122-84-52-Fluoro-4-(methoxycarbonyl)phenylboronic acid2-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID[2-fluoro-4-(methoxycarbonyl)phenyl]boronic acid(2-fluoro-4-(methoxycarbonyl)phenyl)boronic acidMFCD08436034(2-fluoro-4-methoxycarbonylphenyl)boronic acid2-Fluoro-4-(methoxycarbonyl)phenylboronicAcid2-fluoro-4-methoxycarbonyl-phenylboronic acid

이름 더 보기

2-FLUORO-4-(메톡시카르보닐)벤젠보론산uoro-4-methoxycarbonyLO-fluoro p-methoxy carbonyl phMethyl 4-borono-3-fluorobenzoateO-fluoro p-methoxy carbonyl phenyl boronic acidBenzoic acid, 4-borono-3-fluoro-, 1-methyl ester2-Fluoro-4-(methoxycarbonyl)benzeneboronicacid98%2-Fluoro-4-(methoxycarbonyl)phenylboronic acid 98%

4-(methoxycarbonyl)-2-fluorophenylboronic acid(2-fluoro-4-methoxycarbonyl-phenyl)boronic acidAM20040818FT-0678856SCHEMBL362782SCHEMBL29535990DTXSID30647604BKWRLCIYMAYFPA-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 603122-84-5
PubChem CID: 24824345
DTXSID: DTXSID30647604
EC Number: 692-879-8
Nikkaji: J2.607.536J

물성

구조 계산 물성

극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 212

물리화학적 성질

녹는점: 173 · 173-175
끓는 점: 355.1 · 355.1±52.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 7.49 · 7.49±0.58(Predicted)
색상: 흰색에서 황백색까지

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.