4,6-ジクロロ-2,5-ジメチルピリミジン

4,6-Dichloro-2,5-dimethylpyrimidine

HCID 237013CAS 1780-33-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1nc(Cl)c(C)c(Cl)n1
InChIKey: BXVKGWQEEXPBAW-UHFFFAOYSA-N
分子式: C6H6Cl2N2
平均分子量: 177.03 g/mol
単同位体質量: 175.99080355

名称と識別子

優先名称: 4,6-Dichloro-2,5-dimethylpyrimidine
IUPAC: 4,6-dichloro-2,5-dimethylpyrimidine
現地名: 4,6-ジクロロ-2,5-ジメチルピリミジン
英語名: 4,6-Dichloro-2,5-Dimethyl Pyrimidine
分子式: C6H6Cl2N2
分子量: 177.03

名称と別名

4,6-Dichloro-2,5-dimethylpyrimidineDTXSID90285006RefChem:507958DTXCID70236157813-208-91780-33-2Pyrimidine, 4,6-dichloro-2,5-dimethyl-4,6-Dichloro-2,5-Dimethyl PyrimidineMFCD09991674NSC402124,6-dichloro-2,5-dimethyl-pyrimidine2,5-dimethyl-4,6-dichloro-pyrimidine

名称をさらに表示

4,6-ジクロロ-2,5-ジメチルピリミジンCPD1015-A24,6-Dichloro-2,5-dimethylpyrimidine 99%4,6-Dichloro-2,5-dimethyl Pyrimidine(Galapogos)4,6-Dichloro-2,5-Dimethyl Pyrimidine ISO 9001：2015 REACH

NCIMech_000181SCHEMBL275977CHEMBL1981461BXVKGWQEEXPBAW-UHFFFAOYSA-N46-Dichloro-25-dimethylpyrimidineCCG-35379EBC-47563NSC-40212

データベース識別子

CAS: 1780-33-2
PubChem CID: 237013
DTXSID: DTXSID90285006
ChEMBL: CHEMBL1981461
EC Number: 813-208-9

物性

構造計算による物性

XLogP: 2.9
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: 0
重原子数: 10
形式電荷: 0
複雑度: 108

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: crystalline solid
色: White
InChI: InChI=1S/C6H6Cl2N2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3
InChIKey: BXVKGWQEEXPBAW-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=C(C)C(Cl)=N1

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.