4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol

HCID 155241CAS 69045-85-8

기본 정보

표준 SMILES: Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIKey: LXXDBPUREVMTMI-UHFFFAOYSA-N
분자식: C12H8F3NO2
평균 분자량: 255.19 g/mol
단동위원소 질량: 255.05071298

이름 및 식별자

우선 이름: 4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
IUPAC: 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
영어명: 4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}phenol
분자식: C12H8F3NO2
분자량: 255.19

이름 및 동의어

4-(5-trifluoromethyl-pyridin-2-yloxy)-phenol4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenol4-((5-(Trifluoromethyl)-2-pyridinyl)oxy)phenolRefChem:514804854-811-769045-85-84-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenol4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenol4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenolMFCD00102509Phenol, 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-Phenol, 4-((5-(trifluoromethyl)-2-pyridinyl)oxy)-

이름 더 보기

4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenol2-(4-Hydroxyphenoxy)-5-(trifluoromethyl)pyridine4-(5-Trifluoromethyl-2-pyridyloxy)phenol4-(5-Trifluoromethylpyridin-2-yloxy)phenolMaybridge3_004426SCHEMBL906222Fluazifop-P-butyl metabolite 4SCHEMBL8576331SCHEMBL30690168DTXSID60219111LXXDBPUREVMTMI-UHFFFAOYSA-M

데이터베이스 식별자

CAS: 69045-85-8
PubChem CID: 155241
DTXSID: DTXSID60219111
EC Number: 854-811-7
Nikkaji: J62.505A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 265

물리화학적 성질

녹는점: 89 · 89 - 91°C
끓는 점: 341.9 · 341.9±42.0 °C(Predicted)
밀도: 1.378 · 1.378±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 9.7 · 9.70±0.15(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

H411 (93.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.