CAS 87789-47-7 4-(Difluoromethoxy)phenol (HCID 2774124)

기본 정보

CAS: 87789-47-7
표준 SMILES: Oc1ccc(OC(F)F)cc1
InChIKey: BNHAYQSUBZKWAG-UHFFFAOYSA-N
분자식: C7H6F2O2
평균 분자량: 160.12 g/mol
단동위원소 질량: 160.03358587

이름 및 식별자

우선 이름: 4-(Difluoromethoxy)phenol
IUPAC: 4-(difluoromethoxy)phenol
현지명: 4-(디플루오로메톡시)페놀
영어명: 4-(Difluoromethoxy)phenol
분자식: C7H6F2O2
분자량: 160.12

이름 및 동의어

4-(difluoromethoxy)phenol87789-47-7DTXSID80378895RefChem:288842DTXCID20329922674-888-94-difluoromethoxyphenolPhenol, 4-(difluoromethoxy)-MFCD002362364-(difluoromethoxy)phenol98%4-(difluoromethoxy)phenol 98%SCHEMBL755053

이름 더 보기

4-(디플루오로메톡시)페놀

SCHEMBL26441465-(Trifluoromethyl)pyridin-5-olWHMSUIPFAVORLB-UHFFFAOYSA-NSBB087409AKOS009158693alpha,alpha-difluoro-4-hydroxyanisole, difluoromethyl 4-hydroxyphenyl etherDS-4562SB85477

데이터베이스 식별자

CAS: 87789-47-7
PubChem CID: 2774124
DTXSID: DTXSID80378895
EC Number: 674-888-9

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 111

물리화학적 성질

끓는 점: 225.2 · 225.2±30.0 °C(Predicted)
밀도: 1.3 · 1.300±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 9.52 · 9.52±0.15(Predicted)
물리적 상태: 액체
색상: Yellow/green
InChI: InChI=1S/C7H6F2O2/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7,10H
InChIKey: BNHAYQSUBZKWAG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(OC(F)F)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.