CAS 852227-86-2 5-(chloromethyl)-1,3-dimethyl-1H-pyrazole (HCID 4961270)

基本情報

CAS: 852227-86-2
標準SMILES: Cc1cc(CCl)n(C)n1
InChIKey: SGEZKPNUNBVVLB-UHFFFAOYSA-N
分子式: C6H9ClN2
平均分子量: 144.6 g/mol
単同位体質量: 144.045426

名称と識別子

優先名称: 5-(chloromethyl)-1,3-dimethyl-1H-pyrazole
IUPAC: 5-(chloromethyl)-1,3-dimethylpyrazole
現地名: 5-(クロロメチル)-1,3-ジメチル-1H-ピラゾール
英語名: 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole
分子式: C6H9ClN2
分子量: 144.6

名称と別名

5-(chloromethyl)-1,3-dimethyl-1H-pyrazole852227-86-25-(chloromethyl)-1,3-dimethylpyrazoleMFCD073685021H-Pyrazole, 5-(chloromethyl)-1,3-dimethyl-5-Chloromethyl-1,3-dimethyl-1H-pyrazoleSCHEMBL343813DTXSID60406903BCP23450CJB22786SBB025118AKOS005168010

名称をさらに表示

5-(クロロメチル)-1,3-ジメチル-1H-ピラゾール5‐(クロロメチル)‐1,3‐ジメチル‐1H‐ピラゾール5-(chloroMethyl)-13-diMethyl-1H-pyrazole5-(ChloroMethyl)-1,3-diMe...5-ChloroMethyl-1,4-diMethyl-1H-pyrazole5-Chloromethyl-1,3-dimethyl-1H-pyrazole ,97%5-(chloromethyl)-1,3-dimethyl-4,5-dihydro-1H-pyrazole

PB10408AS-34365SY041961CS-0006092EN300-943025-(CHLOROMETHYL)-1,3-DIMETHYL-PYRAZOLEF044388

データベース識別子

CAS: 852227-86-2
PubChem CID: 4961270
DTXSID: DTXSID60406903
EC Number: 807-507-3

物性

構造計算による物性

XLogP: 1.1
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 97

物理化学的性質

沸点: 225.8 · 225.8±25.0 °C(Predicted)
比重(密度): 1.17 · 1.17±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 2.24 · 2.24±0.10(Predicted)

化学的性質

化学的特性White to brown powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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.