5-Fluoro-2-methoxyphenylboronic acid

HCID 2782673

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 179897-94-0
표준 SMILES: COc1ccc(F)cc1B(O)O
InChIKey: CCQKIRUMTHHPSX-UHFFFAOYSA-N
분자식: C7H8BFO3
평균 분자량: 169.95 g/mol
단동위원소 질량: 170.05505274

이름 및 식별자

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

이름 및 동의어

5-Fluoro-2-methoxyphenylboronic acid179897-94-0(5-fluoro-2-methoxyphenyl)boronic acidDTXSID70382204RefChem:535822DTXCID00333229605-875-85-Fluoro-2-methoxybenzeneboronic acid2-methoxy-5-fluorophenylboronic acidMFCD01863526Boronic acid, B-(5-fluoro-2-methoxyphenyl)-SCHEMBL4572

이름 더 보기

AKOS BRN-0214CHEMBRDG-BB 4202998RARECHEM AH PB 01345-Fluoro-2-methoxyphuoro-2-methoxyphenyL2-Borono-4-fluoroanisole2-Methoxy-5-Fluoro-Boronicacid4-Fluoroanisole-2-boronic acid5-Fluoro-2-methoxylboronic acid

AKOS000266630AS-26255-fluoro-2-methoxy phenyl boronic acidSY014637CS-0007622EN300-78438Z381513692Boronic acid, (5-fluoro-2-methoxyphenyl)-

데이터베이스 식별자

CAS: 179897-94-0
PubChem CID: 2782673
DTXSID: DTXSID70382204
EC Number: 605-875-8
Nikkaji: J1.999.389B

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: 144 · 144-153 °C (lit.)
끓는 점: 337.1 · 337.1±52.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): 7.52 · 7.52±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: 1S/C7H8BFO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3
InChIKey: CCQKIRUMTHHPSX-UHFFFAOYSA-N
SMILES: COc1ccc(F)cc1B(O)O

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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, P317, 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-24/25
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도5-Fluoro-2-methoxyphenylboronic Acid is an important building blocks in organic syntheses. A reagent for Suzuki coupling reactions and copper catalyzed arylation reactions. A bacterial mutagen.