4-CarBoxy-3-fluoroBenzene붕소산,피나콜레스터

4-Carboxy-3-fluorobenzeneboronic acid pinacol ester

HCID 44717665

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 867256-77-7
표준 SMILES: CC1(C)OB(c2ccc(C(=O)O)c(F)c2)OC1(C)C
InChIKey: BZWWFDHWZHGLFH-UHFFFAOYSA-N
분자식: C13H16BFO4
평균 분자량: 266.07 g/mol
단동위원소 질량: 266.1125673

이름 및 식별자

우선 이름: 4-Carboxy-3-fluorobenzeneboronic acid pinacol ester
IUPAC: 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
현지명: 4-CarBoxy-3-fluoroBenzene붕소산,피나콜레스터
영어명: 4-CarBoxy-3-fluoroBenzeneBoronicacid,pinacolester
분자식: C13H16BFO4
분자량: 266.07

이름 및 동의어

4-Carboxy-3-fluorobenzeneboronic acid pinacol esterRefChem:520668846-807-9867256-77-72-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidMFCD090272844-CarBoxy-3-fluoroBenzeneBoronicacid,pinacolester4-Carboxy-3-fluorophenylboronic acid pinacol esterBenzoic acid, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-CarBoxy-3-fluoroBenzeneBoronicacidpinacolesterEN300-73840924-Carboxy-3-fluorobenzeneboronic acid, pinacol ester

이름 더 보기

4-CarBoxy-3-fluoroBenzene붕소산,피나콜레스터2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid4-Carboxy-3-fluorobenzeneboronic4-Carboxy-3-fluorobenzeneboronicacid,pinacolester98%4-Carboxy-3-fluorobenzeneboronic acid, pinacol ester 98%2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benz...2-fluoro-4-(hydroxy((3-hydroxy-2,3-dimethylbutan-2-yl)oxy)boryl)benzoic acid

4-Carboxy-3-fluorophenylboronic acid, pinacol esterA8418164-Carboxy-3-fluorophenylboroniSCHEMBL1130871DTXSID60660280BZWWFDHWZHGLFH-UHFFFAOYSA-N2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acidSBB102988

데이터베이스 식별자

CAS: 867256-77-7
PubChem CID: 44717665
DTXSID: DTXSID60660280
EC Number: 846-807-9

물성

구조 계산 물성

극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 356

물리화학적 성질

녹는점: 289 · 289-295℃
끓는 점: 377.6 · 377.6±32.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 3.16 · 3.16±0.10(Predicted)
색상: 하얀색

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]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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