Uracil (HCID 1174)

名称と識別子

優先名称: Uracil
IUPAC: 1H-pyrimidine-2,4-dione
現地名: ウラシル-5-D1
英語名: URACIL-5-D1
分子式: C4H3DN2O2
分子量: 113.09

名称と別名

uracil66-22-8pyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-PyrimidinedionePyrodHybar X2,4-DioxopyrimidinePirod2,4-Pyrimidinedione1H-Pyrimidine-2,4-dione1,2,3,4-tetrahydropyrimidine-2,4-dioneDTXSID4021424

名称をさらに表示

ウラシル-5-D1ウラシル‐5‐D1Nsc29742Uracil-5-Uracil-5-DURACIL-5-D1[6-2H]-UracilURACIL (5-D, 98%)

NSC-3970SQ-6201SQ-7726SQ-8493CHEBI:17568BMS-205603-0156HH86ZVCTNSC3970

データベース識別子

CAS: 24897-50-5、2920-92-5、51953-14-1、51953-20-9、66-22-8
PubChem CID: 1174
DTXSID: DTXSID4021424
ChEMBL: CHEMBL566
ChEBI: CHEBI:17568
UNII: 56HH86ZVCT
EC Number: 200-621-9
Nikkaji: J4.842I

物性

構造計算による物性

XLogP: -1.1
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: 0
重原子数: 8
形式電荷: 0
複雑度: 161

実験および物理化学的性質

LogP · 2 件

-1.07

LogS-1.48

Solubility · 2 件

3600

3.6 mg/mL

Melting Point · 2 件

338

330 °C

Caco2 Permeability-5.37

Physical Description · 2 件

Solid; [Merck Index] White powder; [Alfa Aesar MSDS]

Solid

物理化学的性質

CAS Number Unlabeled: 66 · 66-22-8

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 82.4% (14 of 17) of all reports.

Warning

H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.8%): 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 17 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 14 of 17 reports by companies.；There are 3 notifications provided by 3 of 17 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

Status: Active Update: 31-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19811

2,4(1H,3H)-Pyrimidinedione: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2,4(1H,3H)-Pyrimidinedione: Environment tier I assessment；IMAP assessments - 2,4(1H,3H)-Pyrimidinedione: Human health tier I assessment

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Uracil.

Hazard Classes and CategoriesSkin Irrit. 2 (11.8%)；Eye Irrit. 2A (11.8%)；STOT SE 3 (11.8%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 31-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19811

2,4(1H,3H)-Pyrimidinedione: Does not have an individual approval but may be used under an appropriate group standard

化学と産業

薬理情報

Tissue LocationsAll Tissues；Placenta；Prostate

Cellular LocationsExtracellular

Metabolite Pathways · 1 件

Beta Ureidopropionase Deficiency；beta-Alanine metabolism；Carnosinuria, carnosinemia；Dihydropyrimidinase Deficiency；GABA-Transaminase Deficiency；MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)；Pyrimidine metabolism；UMP Synthase Deficiency (Orotic Aciduria)；Ureidopropionase Deficiency