CAS 288399-19-9 4-(Chloromethyl)-2-methylquinoline (HCID 11535719)

基本情報

CAS: 288399-19-9
標準SMILES: Cc1cc(CCl)c2ccccc2n1
InChIKey: GRCWGPJQMVGBNY-UHFFFAOYSA-N
分子式: C11H10ClN
平均分子量: 191.65 g/mol
単同位体質量: 191.050177

名称と識別子

優先名称: 4-(Chloromethyl)-2-methylquinoline
IUPAC: 4-(chloromethyl)-2-methylquinoline
現地名: 4-(クロロメチル)-2-メチルキノリン
英語名: Quinoline, 4-(chloromethyl)-2-methyl- (9CI)
分子式: C11H10ClN
分子量: 191.66

名称と別名

4-(chloromethyl)-2-methylquinoline288399-19-9DTXSID40468180RefChem:288704DTXCID50418999869-493-54-Chloromethyl-2-methylquinoline4-chloromethyl-2-methyl-quinolineQuinoline, 4-(chloromethyl)-2-methyl-MFCD067976942-Methyl-4-(chloromethyl)quinoline4-(chloromethyl)-2-methyl-quinoline

名称をさらに表示

4-(クロロメチル)-2-メチルキノリンQuinoline, 4-(chloromethyl)-2-methyl4-(Chloromethyl)-2-methyl-1-azanaphthaleneQuinoline, 4-(chloromethyl)-2-methyl- (9CI)

SCHEMBL9945972-methyl-4-chloromethylquinoline4-chloromethyl-2methyl-quinoline4-chloromethyl 2-methyl quinoline4-chloromethyl-2-methyl quinolineGRCWGPJQMVGBNY-UHFFFAOYSA-N4-(chloromethyl) -2-methylquinolineAKOS000352300

データベース識別子

CAS: 288399-19-9
PubChem CID: 11535719
DTXSID: DTXSID40468180
EC Number: 869-493-5

物性

構造計算による物性

XLogP: 3
極性表面積: 12.9 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: 13
形式電荷: 0
複雑度: 171

物理化学的性質

沸点: 316.8 · 316.8±27.0 °C(Predicted)
比重(密度): 1.192 · 1.192±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 5.45 · 5.45±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.