CAS 54198-88-8 2-(Chloromethyl)pyrimidine (HCID 12877371)

基本情報

CAS: 54198-88-8
標準SMILES: ClCc1ncccn1
InChIKey: MSFVEEFXECBJPG-UHFFFAOYSA-N
分子式: C5H5ClN2
平均分子量: 128.56 g/mol
単同位体質量: 128.01412584

名称と識別子

優先名称: 2-(Chloromethyl)pyrimidine
IUPAC: 2-(chloromethyl)pyrimidine
現地名: 2-(クロロメチル)ピリミジン
英語名: 2-(Chloromethyl)pyrimidine
分子式: C5H5ClN2
分子量: 128.56

名称と別名

2-(Chloromethyl)pyrimidine54198-88-8DTXSID80512151RefChem:253577DTXCID10462958848-601-4Pyrimidine, 2-(chloromethyl)-MFCD067962032-chloromethyl pyrimidine2-chloromethyl-pyrimidinechloromethylpyrimidine2-CHLOROMETHYLPYRIMIDINE

名称をさらに表示

2-(クロロメチル)ピリミジンEOS-624292-Chlormethyl-pyrimidin2-chloroMrthyl pyriMidine2-(Chloromethyl)pyrimidin...pyrimidin-2-yl-methyl chloridePyrimidine, 2-(chloromethyl)- (9CI)2-(ChloroMethyl)pyriMidine(HCl ForM)2-(Chloromethyl)pyrimidine(HCl salt form)

2-(chloromethyl)-pyrimidineSCHEMBL874436SCHEMBL10668075AKOS006240026CS-W005780GS-6677SB10109AC-26631

データベース識別子

CAS: 54198-88-8
PubChem CID: 12877371
DTXSID: DTXSID80512151
EC Number: 848-601-4

物性

構造計算による物性

XLogP: 0.6
極性表面積: 25.8 Å²
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: 1
重原子数: 8
形式電荷: 0
複雑度: 61.4

物理化学的性質

沸点: 101 · 101-103 °C(Press: 26 Torr)
比重(密度): 1.241 · 1.241±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 0.43 · 0.43±0.13(Predicted)
外見: liquid
色: Brown

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.