4,6-Dimethylpyrimidin-2-ol (HCID 9508)

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 물성

XLogP: 0
극성 표면적: 41.5 Å²
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

GHS 분류

GHS Classification · 6건

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 · 2건

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 · 2건

Chemical: 2(1H)-Pyrimidinone, 4,6-dimethyl-

Regulation (EC) No 1831/2003 (amended)

안전 데이터

tsca: TSCA listed
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-45-37-28
위험 등급: IRRITANT

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 · 2건

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.