3-아미노-2-하이드록시-5-트리플루오로메틸피리딘

3-Amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-one

HCID 2315787CAS 90778-25-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cc(C(F)(F)F)c[nH]c1=O
InChIKey: UKJVAYOQXPDMHO-UHFFFAOYSA-N
분자식: C6H5F3N2O
평균 분자량: 178.11 g/mol
단동위원소 질량: 178.03539744

이름 및 식별자

우선 이름: 3-Amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
IUPAC: 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one
현지명: 3-아미노-2-하이드록시-5-트리플루오로메틸피리딘
영어명: 3-Amino-2-hydroxy-5-trifluoromethylpyridine
분자식: C6H5F3N2O
분자량: 178.11

이름 및 동의어

3-amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-oneRefChem:497347816-995-790778-25-93-Amino-5-(trifluoromethyl)pyridin-2-ol3-amino-5-(trifluoromethyl)pyridin-2(1H)-one3-Amino-2-hydroxy-5-(trifluoromethyl)pyridine3-Amino-2-hydroxy-5-trifluoromethylpyridine3-amino-5-(trifluoromethyl)-1H-pyridin-2-oneMFCD073753842(1H)-Pyridinone, 3-amino-5-(trifluoromethyl)-3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one

이름 더 보기

3-아미노-2-하이드록시-5-트리플루오로메틸피리딘5-amino-3-(trifluoromethyl)pyridin-2-o3-amino-5-(trifluoromethyl)-2(1H)-Pyridinone3-Amino-2-hydroxy-5-trifluoromethylpyridine ISO 9001：2015 REACH

3-amino-5-(trifluoromethyl)hydropyridin-2-one5-(Trifluoromethyl)-3-amino-2-hydroxypyridineSCHEMBL574325SCHEMBL1027863DTXSID00368036HMS1726H19CS-B1373MFCD01238132

데이터베이스 식별자

CAS: 90778-25-9
PubChem CID: 2315787
DTXSID: DTXSID00368036
EC Number: 816-995-7

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 277

물리화학적 성질

끓는 점: 256.7 · 256.7±40.0 °C(Predicted)
밀도: 1.457 · 1.457±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 11.39 · 11.39±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.