5-(クロロメチル)ウラシル

5-(Chloromethyl)uracil

HCID 236125

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3590-48-5
標準SMILES: O=c1[nH]cc(CCl)c(=O)[nH]1
InChIKey: UCDUBKRXOPMNGH-UHFFFAOYSA-N
分子式: C5H5ClN2O2
平均分子量: 160.56 g/mol
単同位体質量: 160.00395508

名称と識別子

優先名称: 5-(Chloromethyl)uracil
IUPAC: 5-(chloromethyl)-1H-pyrimidine-2,4-dione
現地名: 5-(クロロメチル)ウラシル
英語名: 5-(Chloromethyl)uracil
分子式: C5H5ClN2O2
分子量: 160.56

名称と別名

5-(Chloromethyl)uracilRefChem:531059622-253-13590-48-55-(chloromethyl)pyrimidine-2,4(1h,3h)-dione5-(chloromethyl)-1H-pyrimidine-2,4-dioneMFCD002184452,4(1H,3H)-Pyrimidinedione, 5-(chloromethyl)-NSC6677495-(chloromethyl)-1,3-dihydropyrimidine-2,4-dioneRARECHEM AH CK 0069NSC38188

名称をさらに表示

5-(クロロメチル)ウラシル5-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione, 5-(Chloromethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine

5-chloromethyluracil5-chloromethyl uracil5-(CHLOROMETHYL)-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE5-(chloromethyl)-2,4(1H,3H)-pyrimidinedione5-(Chloromethyl)uracil, 96%SCHEMBL2584919SCHEMBL16796089SCHEMBL30891087

データベース識別子

CAS: 3590-48-5
PubChem CID: 236125
DTXSID: DTXSID20284663
EC Number: 622-253-1

物性

構造計算による物性

XLogP: -1.2
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: 212

物理化学的性質

融点: 350 °C · >350 °C(lit.)
比重(密度): 1.393 · 1.393±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Inert atmosphere,2-8°C
外見: 粉
酸解離定数(Pka): 8.15 · 8.15±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.