5-エチルウラシル

5-Ethyl-2,4(1H,3H)-pyrimidinedione

HCID 73267CAS 4212-49-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CCc1c[nH]c(=O)[nH]c1=O
InChIKey: RHIULBJJKFDJPR-UHFFFAOYSA-N
分子式: C6H8N2O2
平均分子量: 140.14 g/mol
単同位体質量: 140.0585775

名称と識別子

優先名称: 5-Ethyl-2,4(1H,3H)-pyrimidinedione
IUPAC: 5-ethyl-1H-pyrimidine-2,4-dione
現地名: 5-エチルウラシル
英語名: 5-Ethyluracil
分子式: C6H8N2O2
分子量: 140.14

名称と別名

5-Ethyluracil4212-49-1DTXSID601949595-ethyl-2,4(1H,3H)-pyrimidinedioneRefChem:535584DTXCID50117450443-780-1622-736-75-Ethyl uracil5-ethyl-1H-pyrimidine-2,4-dione2,4-Dihydroxy-5-ethylpyrimidineMFCD00079187

名称をさらに表示

5-エチルウラシル2,4-ジヒドロキシ-5-エチルピリミジン5-エチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオンAURORA KA-5805-ethvluracil5-Ethyluracil>5-Ethyluracil, 98+%5-Ethyluracil USP/EP/BPDIHYDROXY-5-ETHYLPYRIMIDINE

5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 5-ethyl-5-ethylpyrimidine-2,4(1h,3h)-dioneHomothymineUracil, 5-ethyl-5-ethyl-1,3-dihydropyrimidine-2,4-dioneSCHEMBL161148SCHEMBL3138242

データベース識別子

CAS: 4212-49-1
PubChem CID: 73267
DTXSID: DTXSID60194959
EC Number: 443-780-1、622-736-7
Nikkaji: J284.220C

物性

構造計算による物性

XLogP: -0.2
極性表面積: 58.2 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 208

物理化学的性質

融点: 300 °C · >300 °C(lit.)
比重(密度): 1.164 · 1.164±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 9.21 · 9.21±0.10(Predicted)
色: White to Light yellow
BRN: 119494 · 119494
InChI: InChI=1S/C6H8N2O2/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKey: RHIULBJJKFDJPR-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(CC)C(=O)N1
CAS データベース: 4212 · 4212-49-1(CAS DataBase Reference)

化学的性質

化学的特性Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

応用分野

用途有機合成原料。

上流・下流製品情報

上流原料

Pyrimidine, 4-chloro-5-ethyl-2,6-dimethoxy-Uridine, 2'-deoxy-5-ethyl-4'-thio- (9CI)Pyrimidine, 2,4,6-trichloro-5-ethyl-5-ethylpyrimidin-4-ol ethyl 2-formylbutanoate 5-エチル-2-チオウラシル 5-エチル-2,4,6(1H,3H,5H)-ピリミジントリオン 5-ブロモ-2,4-ジメトキシピリミジン尿素ヨウ化エチル

下流製品

5-エチル-2,4-ビス(トリメチルシリルオキシ)ピリミジン

サプライヤー50 社

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