2,4-Dichloro-5-(trifluoromethyl)pyrimidine

HCID 2782774

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3932-97-6
표준 SMILES: FC(F)(F)c1cnc(Cl)nc1Cl
InChIKey: IDRUEHMBFUJKAK-UHFFFAOYSA-N
분자식: C5HCl2F3N2
평균 분자량: 216.97 g/mol
단동위원소 질량: 215.94688805

이름 및 식별자

우선 이름: 2,4-Dichloro-5-(trifluoromethyl)pyrimidine
IUPAC: 2,4-dichloro-5-(trifluoromethyl)pyrimidine
영어명: 2,4-Dichloro-5-trifluoromethylpyrimidine
분자식: C5HCl2F3N2
분자량: 216.98

이름 및 동의어

2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-6DTXSID10382283EC 609-648-4RefChem:82332DTXCID80333308609-648-42,4-Dichloro-5-trifluoromethylpyrimidine2,4-Dichloro-5-trifluoromethyl-pyrimidineMFCD034264082,6-Dichloro-5-trifluoromethylpyrimidine; 5-Trifluoromethyl-2,4-dichloropyrimidinePYRIMIDINE, 2,4-DICHLORO-5-(TRIFLUOROMETHYL)-

이름 더 보기

2,4-Dichloro-5-trifl4-Dichloro-5-(trifluoroMethyl)2,4-Dichloro-5-(trifluoroMethyl)4-(broMoMethyl)-3-chlorobenzaMide2,6-Dichloro-5-trifluoromethylpyrimidine5-TRIFLUOROMETHYL-2,4-DICHLOROPYRIMIDINE2,4-Dichloro-5-(trifluoromethyl)-1,3-diazine2,4-Dichloro-5-(trifluoroMethyl)pyriMidine 97%

SCHEMBL153856SCHEMBL29392215CS-D0902SBB095342AKOS005063355AB14881AC-6522FD11927

데이터베이스 식별자

CAS: 3932-97-6
PubChem CID: 2782774
DTXSID: DTXSID10382283
EC Number: 609-648-4
Nikkaji: J3.064.231G

물성

구조 계산 물성

XLogP: 3
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

실험 및 물리화학적 성질

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

물리화학적 성질

끓는 점: 49 ℃/32mm · 49℃/32mm
밀도: 1.609 g/mL · 1.609 g/mL at 25 °C
굴절률: 1.4749 · 1.4749
인화점: 200 · 200 ºF
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 투명한 무색~담황색 액체
산도 계수 (pKa): -4.89 · -4.89±0.29(Predicted)
InChI: InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
InChIKey: VABVSVZAESMOCH-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C(F)(F)F)C(Cl)=N1

화학적 성질

White liquid or solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (84.1%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 07-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6531

Hazard Classes and CategoriesAcute Tox. 2 (84.1%)

안전 데이터

wgk: 3
ridadr: UN 2810
HS 번호: 29335990
risk_code: 36/37/38-36-25
hazard_code: Xi,C,T
safety_code: 26-36/37/39-45
포장분류: Ⅲ
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도2,4-Dichloro-5-trifluoromethylpyrimidine is a reactant in the preparation of pyrimidine derivatives as inhibitors of gene ALK protein Kinase phosphorylating kinase and as cell proliferation inhibitors.