3-(디플루오로메톡시)-벤젠보론산

3-(Difluoromethoxy)benzeneboronic acid

HCID 17750069

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 866607-09-2
표준 SMILES: OB(O)c1cccc(OC(F)F)c1
InChIKey: FGQKXEUNYFZVMW-UHFFFAOYSA-N
분자식: C7H7BF2O3
평균 분자량: 187.94 g/mol
단동위원소 질량: 188.0456306

이름 및 식별자

우선 이름: 3-(Difluoromethoxy)benzeneboronic acid
IUPAC: [3-(difluoromethoxy)phenyl]boronic acid
현지명: 3-(디플루오로메톡시)-벤젠보론산
영어명: 3-(Difluoromethoxy)-benzeneboronic acid
분자식: C7H7BF2O3
분자량: 187.94

이름 및 동의어

3-(Difluoromethoxy)benzeneboronic acidRefChem:494865640-474-1866607-09-2(3-(Difluoromethoxy)phenyl)boronic acid3-(Difluoromethoxy)phenylboronic acid[3-(difluoromethoxy)phenyl]boronic acid3-(DIFLUOROMETHOXY)-BENZENEBORONIC ACIDMFCD087062821-Borono-3-(difluoromethoxy)benzeneBoronic acid, [3-(difluoromethoxy)phenyl]-SCHEMBL8971

이름 더 보기

3-(디플루오로메톡시)-벤젠보론산2-Fluoro-31-(methylthio)pyridineBoronic acid, B-[3-(difluoromethoxy)phenyl]-

B-[3-(DIFLUOROMETHOXY)PHENYL]BORONIC ACIDDTXSID705902213-difluoromethoxybenzeneboronic acid3-difluoromethoxybenzene-boronic acidSBB090670XH0345AKOS009318223(3-(Difluoromethoxy)phenyl)boronicacid

데이터베이스 식별자

CAS: 866607-09-2
PubChem CID: 17750069
DTXSID: DTXSID70590221
EC Number: 640-474-1

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 157

물리화학적 성질

끓는 점: 311.1 · 311.1±52.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 가루
산도 계수 (pKa): 7 · 7+-.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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.