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

名称と識別子

優先名称: 4,6-Dimethylpyrimidin-2-ol
IUPAC: 4,6-Dimethylpyrimidin-2(1H)-one
現地名: 4,6-ジメチル-2-ヒドロキシピリミジン
英語名: 4,6-Dimethyl-2-hydroxypyrimidine
分子式: C6H8N2O
分子量: 124.14

名称と別名

4,6-ジメチル-2-ヒドロキシピリミジン4,6-ジメチル-2(1H)-ピリミジノン4,6-ジメチルピリミジン-2(1H)-オン2-ヒドロキシ-4,6-ジメチルピリミジン4,6-ジメチル-2(1H)-ピリミドン4,6-ジメチル-2-ピリミジノール4,6-ジメチルピリミジン-2-オール4,6-DIMETHYLPYRIMIDIN-2-OL2-HYDROXY-4,6-DIMETHYLPYRIMIDINE4,6-Dimethyl-2-pyrimidone4,6-dimethyl-1,2-dihydro-2-pyrimidoneTIMTEC-BB SBB004271

名称をさらに表示

4,6-Dimethyl-2-pyrimidol4,6-DIMETHYL-2-PYRIMIDINOL4,6-Dimethyl-2-pyrimidinone4,6-Dimethyl-2(1H)-pyrimidone4,6-dimethyl-2(1h)-pyrimidinon

データベース識別子

CAS: 108-79-2
PubChem CID: 9508
DTXSID: DTXSID5043762
ChEMBL: CHEMBL3706457
UNII: HG0CBN4V9F
EC Number: 203-617-5
Nikkaji: J27.912I

物性

構造計算による物性

XLogP: 0
極性表面積: 41.5 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 203

物理化学的性質

融点: 201 · 201-205 °C
沸点: 230.92 °C · 230.92°C (rough estimate)
比重(密度): 1.1683 · 1.1683 (rough estimate)
屈折率: 1.5378 · 1.5378 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 10.34 · 10.34±0.10(Predicted)
外見: 個体
色: オフホワイトからペールイエロー
CAS データベース: 108 · 108-79-2(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4,6-Dimethyl-2-pyrimidinol(108-79-2)
EPAの化学物質情報: 2 · 2(1H)-Pyrimidinone, 4,6-dimethyl- (108-79-2)

化学的性質

化学的特性Off-white, light yellow to pink crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

法規制情報

Regulatory Information · 2 件

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

Regulation (EC) No 1831/2003 (amended)

安全データ

tsca: TSCA listed
hs_code: 29335990
risk_code: 36/37/38
化審法: (9)-2245
hazard_code: Xi
safety_code: 24/25-45-37-28
hazard_class: IRRITANT

化学と産業

用途と製造

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

General Manufacturing Information2(1H)-Pyrimidinone, 4,6-dimethyl-: INACTIVE

応用分野 · 2 件

説明4,6-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].

使用4,6-Dimethyl-2-hydroxypyrimidine is a component of Nicarbazine (N394530), a coccidiostat, which is an antiprotozoal agent that acts upon Coccidia parasites.