3-에톡시카르보닐-4-플루오로페닐보론산

3-(Ethoxycarbonyl)-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)

HCID 24901771CAS 874219-36-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cc(B(O)O)ccc1F
InChIKey: YCXMTPOFCTUKTB-UHFFFAOYSA-N
분자식: C9H10BFO4
평균 분자량: 211.98 g/mol
단동위원소 질량: 212.0656171

이름 및 식별자

우선 이름: 3-(Ethoxycarbonyl)-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)
IUPAC: (3-ethoxycarbonyl-4-fluorophenyl)boronic acid
현지명: 3-에톡시카르보닐-4-플루오로페닐보론산
영어명: 3-Ethoxycarbonyl-4-fluorophenylboronic acid
분자식: C9H10BFO4
분자량: 211.98

이름 및 동의어

3-(Ethoxycarbonyl)-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)RefChem:495153834-014-0874219-36-03-ETHOXYCARBONYL-4-FLUOROPHENYLBORONIC ACID(3-ethoxycarbonyl-4-fluorophenyl)boronic acid(3-(ethoxycarbonyl)-4-fluorophenyl)boronic acidMFCD080618363-(Ethoxycarbonyl)-4-fluorobenzeneboronic acid1-Ethyl 5-borono-2-fluorobenzoate[3-(ethoxycarbonyl)-4-fluorophenyl]boronic acid(3-ethoxycarbonyl-4-fluoro-phenyl)boronic acid

이름 더 보기

3-에톡시카르보닐-4-플루오로페닐보론산ETHYL 5-BORONO-2-FLUOROBENZOATE5-Borono-2-fluorobenzoic acid ethyl esterBenzoic acid, 5-borono-2-fluoro-, 1-ethyl ester3-(Ethoxycarbonyl)-4-fluorobenzeneboronicacid98%3-(Ethoxycarbonyl)-4-fluorobenzeneboronic acid 98%3-ETHOXYCARBONYL-4-FLUOROPHENYLBORONIC ACID ISO 9001：2015 REACH

3-(ethoxycarbonyl)-4-fluorophenylboronic acid(3-Ethoxycarbonyl-4-fluorophenyl)boronicacidSCHEMBL473842DTXSID60647879YCXMTPOFCTUKTB-UHFFFAOYSA-NSBB094566AKOS015838802CS-W004016

데이터베이스 식별자

CAS: 874219-36-0
PubChem CID: 24901771
DTXSID: DTXSID60647879
EC Number: 834-014-0

물성

구조 계산 물성

극성 표면적: 66.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 224

물리화학적 성질

녹는점: 149 · 149-152
끓는 점: 373.1 · 373.1±52.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 7.87 · 7.87±0.10(Predicted)
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.