CAS 10541-78-3 2-Methoxy-N-methylaniline (HCID 2759579)

基本情報

CAS: 10541-78-3
標準SMILES: CNc1ccccc1OC
InChIKey: KNZWULOUXYKBLH-UHFFFAOYSA-N
分子式: C8H11NO
平均分子量: 137.18 g/mol
単同位体質量: 137.08406397

名称と識別子

優先名称: 2-Methoxy-N-methylaniline
IUPAC: 2-methoxy-N-methylaniline
現地名: 2-メトキシ-N-メチアニリン
英語名: 2-METHOXY-N-METHYANILINE
分子式: C8H11NO
分子量: 137.18

名称と別名

2-Methoxy-N-methylaniline10541-78-3DTXSID80374852RefChem:262732DTXCID60325882626-413-12-Methoxy-N-methyanilineMFCD03093822N-Methyl-2-anisidineBenzenamine, 2-methoxy-N-methyl-2-methoxy-N-methyl-aniline(2-methoxy-phenyl)-methyl-amine

名称をさらに表示

2-メトキシ-N-メチアニリン2-メトキシ-N-メチルアニリンO-メトキシ-N-メチルアニリン2-METHOXY-N-METHYANIN-METHYL-O-ANISIDINEo-Methoxy-N-methylaniline2-Methoxy-N-Methylaniline 97%2-Methoxy-N-Methyaniline ,97%Benzenamine,2-methoxy-N-methyl-

N-methyl o-AnisidineUrapidil Impurity 1052-methoxyl-N-methylaniline2-methoxyl -N-methylanilineN-methyl ortho-methoxyanilineSCHEMBL360495SCHEMBL360496SCHEMBL1355824

データベース識別子

CAS: 10541-78-3
PubChem CID: 2759579
DTXSID: DTXSID80374852
EC Number: 626-413-1
Nikkaji: J920.005C

物性

構造計算による物性

XLogP: 2.2
極性表面積: 21.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 95.3

物理化学的性質

融点: 30 · 30-34 °C (lit.)
沸点: 115 °C · 115 °C
比重(密度): 1.032 · 1.032±0.06 g/cm3(Predicted)
闪点: 209 °F · 209 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): 4.8 · 4.80±0.10(Predicted)
色: Pale yellow
InChI: InChI=1S/C8H11NO/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9H,1-2H3
InChIKey: KNZWULOUXYKBLH-UHFFFAOYSA-N
SMILES: C1(NC)=CC=CC=C1OC

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, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 2
hs_code: 29222990
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37/39
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用As an organic synthesis intermediate, 2-methoxy-N-methylaniline can be used to synthesize various complex organic molecules, especially in the fields of medicine and pesticide chemistry.