(5-(Trifluoromethyl)pyridin-2-yl)methanol

HCID 3820787

노트 반응

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기본 정보

CAS: 31181-84-7
표준 SMILES: OCc1ccc(C(F)(F)F)cn1
InChIKey: GVAFEGOUIQFLQH-UHFFFAOYSA-N
분자식: C7H6F3NO
평균 분자량: 177.12 g/mol
단동위원소 질량: 177.04014847

이름 및 식별자

우선 이름: (5-(Trifluoromethyl)pyridin-2-yl)methanol
IUPAC: [5-(trifluoromethyl)-2-pyridinyl]methanol
영어명: (5-TRIFLUOROMETHYL-PYRIDIN-2-YL) METHANOL
분자식: C7H6F3NO
분자량: 177.12

이름 및 동의어

31181-84-7(5-(trifluoromethyl)pyridin-2-yl)methanol[5-(trifluoromethyl)pyridin-2-yl]methanolDTXSID20396871RefChem:1050559DTXCID50347730812-309-5[5-(trifluoromethyl)-2-pyridinyl]methanol(5-Trifluoromethyl-pyridin-2-yl) methanolMFCD04117762(5-Trifluoromethyl-pyridin-2-yl)methanol(5-trifluoromethyl-pyridin-2-yl)-methanol

이름 더 보기

5-(trifluoromethyl)-2-Pyridinemethanol2-Pyridinemethanol, 5-(trifluoromethyl)-2-HydroxyMethyl-5-(TrifluorMethyl)-Pyridine(5-TRIFLUOROMETHYL-PYRIDIN-2-YL) METHANOL ISO 9001：2015 REACH

2-(HYDROXYMETHYL)-5-(TRIFLUOROMETHYL)PYRIDINE[5-(TRIFLUOROMETHYL)-2-PYRIDYL]METHANOLSCHEMBL472531SCHEMBL5262966AR2111SBB089232AKOS006295430AB20728

데이터베이스 식별자

CAS: 31181-84-7
PubChem CID: 3820787
DTXSID: DTXSID20396871
EC Number: 812-309-5

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 215.5 · 215.5±35.0 °C(Predicted)
밀도: 1.362 · 1.362±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 13.16 · 13.16±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.