CAS 405930-63-4 4-Chloro-6-(prop-2-yn-1-yloxy)pyrimidine (HCID 12137598)

基本情報

CAS: 405930-63-4
標準SMILES: C#CCOc1cc(Cl)ncn1
InChIKey: SYDGNXYENGLEQZ-UHFFFAOYSA-N
分子式: C7H5ClN2O
平均分子量: 168.58 g/mol

名称と識別子

優先名称: 4-Chloro-6-(prop-2-yn-1-yloxy)pyrimidine
IUPAC: 4-chloro-6-prop-2-ynoxypyrimidine

名称と別名

4-chloro-6-(prop-2-yn-1-yloxy)pyrimidine405930-63-4RefChem:521564896-872-2SCHEMBL5399689SYDGNXYENGLEQZ-UHFFFAOYSA-N4-chloro-6-(2-propynyloxy)pyrimidineAKOS010529206

データベース識別子

CAS: 405930-63-4
PubChem CID: 12137598
EC Number: 896-872-2

物性

構造計算による物性

XLogP: 1.6
極性表面積: 35 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 165

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.