2-히드록시-5-(트리플루오로메틸)피리딘

2-Hydroxy-5-(trifluoromethyl)pyridine

HCID 147443CAS 33252-63-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1ccc(C(F)(F)F)c[nH]1
InChIKey: BYRJSCNPUHYZQE-UHFFFAOYSA-N
분자식: C6H4F3NO
평균 분자량: 163.1 g/mol
단동위원소 질량: 163.02449841

개요

structure in first source

이름 및 식별자

우선 이름: 2-Hydroxy-5-(trifluoromethyl)pyridine
IUPAC: 5-(trifluoromethyl)-1H-pyridin-2-one
현지명: 2-히드록시-5-(트리플루오로메틸)피리딘
영어명: 2-Hydroxy-5-trifluoromethylpyridine
분자식: C6H4F3NO
분자량: 163.1

이름 및 동의어

33252-63-02-Hydroxy-5-(trifluoromethyl)pyridine2(1H)-Pyridinone, 5-(trifluoromethyl)-1CCP81H07BRefChem:473259627-625-75-(trifluoromethyl)pyridin-2-ol2-Hydroxy-5-trifluoromethylpyridine5-(trifluoromethyl)-1H-pyridin-2-oneMFCD000423155-(Trifluoromethyl)-2-pyridinol5-(Trifluoromethyl)-2-pyridone

이름 더 보기

2-히드록시-5-(트리플루오로메틸)피리딘2-Hydroxy-5-(tBUTTPARK 24\01-67Fampridine Impurity 2165-Trifluoromethyl-Pyridin-2-Hydroxy-5-(trifluoroMethyl)pyr5-(Trifluoromethyl)-2-pyridinone

5-(trifluoromethyl)-1,2-dihydropyridin-2-one5-(Trifluoromethyl)-2(1H)-pyridinone5-(Trifluoromethyl)pyridin-2(1H)-one5-trifluoromethyl-pyridin-2-ol79894-13-65-(trifluoromethyl)pyridin-2-one5-trifluoromethyl-2(1h)-pyridone5-(trifluoromethyl)-2-(1H)-pyridone

데이터베이스 식별자

CAS: 33252-63-0
PubChem CID: 147443
DTXSID: DTXSID8044387
ChEMBL: CHEMBL5424775
UNII: 1CCP81H07B
EC Number: 627-625-7
Nikkaji: J1.248.517D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: 145 · 145-149 °C (lit.)
끓는 점: 221.2 · 221.2±40.0 °C(Predicted)
밀도: 1.398 · 1.398±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(가용성), 에탄올(소량으로 용해), 메탄올(적당히)
산도 계수 (pKa): 9.55 · 9.55±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 베이지색
InChI: InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKey: BYRJSCNPUHYZQE-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(C(F)(F)F)C=C1
EPA: 2 · 2(1H)-Pyridinone, 5-(trifluoromethyl)- (33252-63-0)

화학적 성질

Yellow to brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 77 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationRegulation (EC) No 1107/2009 (amended)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38-65-20/21/22-20/21
hazard_code: Xi,Xn
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

응용 분야

용도2-Hydroxy-5-(trifluoromethyl)pyridine (cas# 33252-63-0) is a compound useful in organic synthesis.

일반 설명2-Hydroxy-5-(trifluoromethyl)pyridine, a pyridine derivative, is a heterocyclic building block. They have useful applications in catalysis, drug design, molecular recognition, and natural product synthesis.