2-メトキシ-1,3-ジメチル-5-ニトロベンゼン

2-Methoxy-1,3-dimethyl-5-nitrobenzene

HCID 139835CAS 14804-39-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1c(C)cc([N+](=O)[O-])cc1C
InChIKey: HSDNHFOJTRMGER-UHFFFAOYSA-N
分子式: C9H11NO3
平均分子量: 181.19 g/mol
単同位体質量: 181.07389321

名称と識別子

優先名称: 2-Methoxy-1,3-dimethyl-5-nitrobenzene
IUPAC: 2-methoxy-1,3-dimethyl-5-nitrobenzene
現地名: 2-メトキシ-1,3-ジメチル-5-ニトロベンゼン
英語名: 2,6-Dimethyl-4-nitroanisole
分子式: C9H11NO3
分子量: 181.19

名称と別名

2-methoxy-1,3-dimethyl-5-nitrobenzeneRefChem:4741182,6-Dimethyl-4-nitroanisole14804-39-8MFCD00024537Benzene, 2-methoxy-1,3-dimethyl-5-nitro-m-Xylene, 2-methoxy-5-nitro-m-Xylene, 2-methoxy-5-nitro-,2,6-Dimethyl-4-nitrophenyl methyl ether2-methoxy-1,3-dimethyl-5-nitro-benzeneBenzene,2-methoxy-1,3-dimethyl-5-nitro-SCHEMBL654449

名称をさらに表示

2-メトキシ-1,3-ジメチル-5-ニトロベンゼン

2,6-dimethyl-4-nitro-anisoleDTXSID70163873HSDNHFOJTRMGER-UHFFFAOYSA-N4-methoxy-3,5-dimethylnitrobenzeneALBB-0233462-Methoxy-13-dimethyl-5-nitrobenzeneAKOS0033683982,6-dimethyl-1-methoxy-4-nitrobenzene

データベース識別子

CAS: 14804-39-8
PubChem CID: 139835
DTXSID: DTXSID70163873
EC Number: 642-652-4
Nikkaji: J485.971E

物性

構造計算による物性

XLogP: 2.5
極性表面積: 55.1 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: 1
重原子数: 13
形式電荷: 0
複雑度: 178

実験および物理化学的性質

SpringerMaterials PropertiesDiamagnetic susceptibility

物理化学的性質

融点: 85 · 85-89°C
貯蔵温度: Store at room temperature

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.