2-플루오로-3-메톡시페닐보론산

2-Fluoro-3-methoxyphenylboronic acid

HCID 4985744

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 352303-67-4
표준 SMILES: COc1cccc(B(O)O)c1F
InChIKey: JCKZNMSBFBPDPM-UHFFFAOYSA-N
분자식: C7H8BFO3
평균 분자량: 169.95 g/mol
단동위원소 질량: 170.05505274

이름 및 식별자

우선 이름: 2-Fluoro-3-methoxyphenylboronic acid
IUPAC: (2-fluoro-3-methoxyphenyl)boronic acid
현지명: 2-플루오로-3-메톡시페닐보론산
영어명: 2-Fluoro-3-methoxyphenylboronic acid
분자식: C7H8BFO3
분자량: 169.95

이름 및 동의어

2-Fluoro-3-methoxyphenylboronic acid352303-67-4DTXSID60407258BORONIC ACID, B-(2-FLUORO-3-METHOXYPHENYL)-RefChem:472249DTXCID60358110609-099-0(2-fluoro-3-methoxyphenyl)boronic acid2-fluoro-3-methoxybenzeneboronic acidMFCD02094728Boronic acid, (2-fluoro-3-methoxyphenyl)-2-fluoro-3-methoxyphenyl boronic acid

이름 더 보기

2-플루오로-3-메톡시페닐보론산2-F,3-MeOC6H3B(OH)23-Borono-2-fluoroanisoleFluoro-3-Methoxyphenylboronic2-Fluor-3-methoxyphenylborate2-Fluoro-3-Methoxyphenylboroni2-fluoro-3-methoxyphenylboric acid(2-fluoro-3-methoxyphenyl)boronicacioronic acid,B-(2-fluoro-3-methoxyphenyl)

UNII-C42SY4A63VB-(2-Fluoro-3-methoxyphenyl)boronic acidSCHEMBL126401C42SY4A63VElagolix intermediateAKOS005254274PS-9568(3-Methoxy-2-fluorophenyl)boronic acid

데이터베이스 식별자

CAS: 352303-67-4
PubChem CID: 4985744
DTXSID: DTXSID60407258
UNII: C42SY4A63V
EC Number: 609-099-0
Nikkaji: J2.364.727C

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 117 · 117-122 °C (lit.)
끓는 점: 326.8 · 326.8±52.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly)
물리적 상태: 고체
산도 계수 (pKa): 7.9 · 7.90±0.58(Predicted)
색상: 미색부터 페일 베이지까지
BRN: 9191510 · 9191510
InChI: InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChIKey: JCKZNMSBFBPDPM-UHFFFAOYSA-N
SMILES: B(C1=CC=CC(OC)=C1F)(O)O
LogP: 1.14 · 1.14

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 8.3% (1 of 12) of reports.

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, 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 12 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.