4,6-Dimethylpyrimidin-2-ol
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기본 정보
- CAS
108-79-2- 표준 SMILES
Cc1cc(C)[nH]c(=O)n1- InChIKey
WHEQVHAIRSPYDK-UHFFFAOYSA-N- 분자식
- C6H8N2O
- 평균 분자량
- 124.143 g/mol
- 단동위원소 질량
- 124.06366288
이름 및 식별자
- 우선 이름
- 4,6-Dimethylpyrimidin-2-ol
- IUPAC
- 4,6-Dimethylpyrimidin-2(1H)-one
- 영어명
- 4,6-Dimethyl-2-hydroxypyrimidine
- 분자식
- C6H8N2O
- 분자량
- 124.14
이름 및 동의어
4,6-DIMETHYLPYRIMIDIN-2-OL2-HYDROXY-4,6-DIMETHYLPYRIMIDINE4,6-Dimethyl-2-pyrimidone4,6-dimethyl-1,2-dihydro-2-pyrimidoneTIMTEC-BB SBB0042714,6-Dimethyl-2-pyrimidol4,6-DIMETHYL-2-PYRIMIDINOL4,6-Dimethyl-2-pyrimidinone4,6-Dimethyl-2(1H)-pyrimidone4,6-dimethyl-2(1h)-pyrimidinon
데이터베이스 식별자
- CAS
108-79-2- PubChem CID
- 9508
- DTXSID
DTXSID5043762- ChEMBL
CHEMBL3706457- UNII
- HG0CBN4V9F
- EC Number
- 203-617-5
- Nikkaji
- J27.912I
물성
구조 계산 물성보충 중
- XLogP
- 0
- 극성 표면적
- 41.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 203
물리화학적 성질
- 녹는점
- 201 · 201-205 °C
- 끓는 점
- 230.92 °C · 230.92°C (rough estimate)
- 밀도
- 1.1683 · 1.1683 (rough estimate)
- 굴절률
- 1.5378 · 1.5378 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 10.34 · 10.34±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 황백색에서 연한 노란색
- NIST
- 4 · 4,6-Dimethyl-2-pyrimidinol(108-79-2)
- EPA
- 2 · 2(1H)-Pyrimidinone, 4,6-dimethyl- (108-79-2)
화학적 성질
Off-white, light yellow to pink crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；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.
유해성 정보
Regulatory Information
Chemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-
Regulation (EC) No 1831/2003 (amended)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2 (83.3%)
규제 정보
Regulatory Information
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information2(1H)-Pyrimidinone, 4,6-dimethyl-: INACTIVE
응용 분야
개요4,6-Dimethyl-2-hydroxypyrimidine (4,6-DHP) is a synthetic pyrimidine analogue classified as a functional nutritional compound[6]. The hydrochloride salt serves as a precursor for synthesizing 4,6-dimethyl-2-chloropyrimidine via reaction with phosphorus oxychloride[4]. It acts as a ligand in coordination chemistry, reacting with copper(II) perchlorate in aqueous ammonia to form [(NH3)2Cu(dmpymo)](ClO4)·2H2O, and with palladium complexes to yield [(dach)Pd(2-dmpymo)]4(NO3)4[5][7].
용도4,6-Dimethyl-2-hydroxypyrimidine is a component of Nicarbazine (N394530), a coccidiostat, which is an antiprotozoal agent that acts upon Coccidia parasites.
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