Pyrimidine
基本情報
- CAS
25247-63-6- 標準SMILES
c1cncnc1- InChIKey
CZPWVGJYEJSRLH-UHFFFAOYSA-N- 分子式
- C4H4N2
- 平均分子量
- 80.09 g/mol
- 単同位体質量
- 80.03744813
概要
Pyrimidine is the parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. It has a role as a Daphnia magna metabolite. It is a diazine and a member of pyrimidines.
名称と識別子
- 優先名称
- Pyrimidine
- IUPAC
- pyrimidine
- 英語名
- pyrimidine
- 分子式
- C4H4N2
- 分子量
- 80.09
名称と別名
PYRIMIDINE289-95-21,3-DiazineMetadiazinem-DiazineMiazinePyrimidine base1,3-DiazinK8CXK5Q32LNSC-89305DTXSID1051228CHEBI:16898
名称をさらに表示
RefChem:6186DTXCID4029850206-026-01,3-DiazabenzeneMFCD00006059pyrimidine phase INSC89305pyrimidine phase II
データベース識別子
- CAS
25247-63-6、289-95-2- PubChem CID
- 9260
- DTXSID
DTXSID1051228- ChEMBL
CHEMBL15562- ChEBI
CHEBI:16898- UNII
- K8CXK5Q32L
- EC Number
- 206-026-0
- Nikkaji
- J2.568B
物性
構造計算による物性
- XLogP
- -0.4
- 極性表面積
- 25.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 32.5
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyrimidines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP
-0.40
-0.34
Solubility1000 mg/mL at 25 °C
Melting Point22 °C
Vapor Pressure12.9 [mmHg]
Physical Description
Liquid
Liquid or solid with a penetrating odor; mp = 20-22 deg C; [Merck Index] Clear, slightly brownish-yellow liquid; Hygroscopic; mp = 19 deg C; [Aldrich MSDS]
Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H226 (98.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Pyrimidine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrimidine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11327
Hazards SummaryFlammable; May cause irritation; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (98.3%)
化学と産業
用途と製造
U.S. Production2023: 22,928 lb
Industry UsesIntermediate
General Manufacturing Information
Cyclic Crude and Intermediate Manufacturing
Pyrimidine: ACTIVE
関連反応
130 件
化合物ノート
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