2-Fluoro-5-methoxyphenylboronic acid

HCID 4157211CAS 406482-19-7

기본 정보

표준 SMILES: COc1ccc(F)c(B(O)O)c1
InChIKey: IPTZOWYBCLEBOE-UHFFFAOYSA-N
분자식: C7H8BFO3
평균 분자량: 169.95 g/mol
단동위원소 질량: 170.05505274

이름 및 식별자

우선 이름: 2-Fluoro-5-methoxyphenylboronic acid
IUPAC: (2-fluoro-5-methoxyphenyl)boronic acid
영어명: 2-Fluoro-5-methoxyphenylboronic acid
분자식: C7H8BFO3
분자량: 169.95

이름 및 동의어

2-Fluoro-5-methoxyphenylboronic acid406482-19-7(2-fluoro-5-methoxyphenyl)boronic acidDTXSID60400047RefChem:472483DTXCID70350903689-882-1MFCD04974115BORONIC ACID, (2-FLUORO-5-METHOXYPHENYL)-SCHEMBL931782B-(2-FLUORO-5-METHOXYPHENYL)-BORONIC ACID2-FLUORO-5-METHOXYBENZENEBORONIC ACID

이름 더 보기

3-Borono-4-fluoroanisole2-Fluoro-5-methoxyphenylboronicaci2-Fluoro-5-methoxyphenylboronic acid >=95%Boronic acid, B-(2-fluoro-5-Methoxyphenyl)-2-Fluoro-5-methoxyphenylboronic acid, 98.5%2-fluoro-5-methoxyphenylboronic acid, 98%min2-Fluoro-5-methoxyphenylboronic acid - [F3230]Boronic acid, (2-fluoro-5-methoxyphenyl)- (9CI)

(2-fluoro-5-methoxy-phenyl)boronic Acid2-FLUORO-5-METHOXYPHENYLBORONICACID2-fluoro-5met4TA7GA3D6QSCHEMBL294546192-fluoro-5methoxyphenylboronic acid5-methoxy-2-fluorophenylboronic acidSBB071214

데이터베이스 식별자

CAS: 406482-19-7
PubChem CID: 4157211
DTXSID: DTXSID60400047
UNII: 4TA7GA3D6Q
EC Number: 689-882-1
Nikkaji: J2.687.189A

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: 194 · 194-196 °C (lit.)
끓는 점: 333.1 · 333.1±52.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 7.9 · 7.90±0.58(Predicted)
물리적 상태: 고체
색상: 흰색에서 노란색으로
InChI: 1S/C7H8BFO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChIKey: IPTZOWYBCLEBOE-UHFFFAOYSA-N
SMILES: COc1ccc(F)c(c1)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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.