4-メトキシ-2-メチルフェニルアセトニトリル

2-(4-Methoxy-2-methylphenyl)acetonitrile

HCID 3801024

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基本情報

CAS: 262298-02-2
標準SMILES: COc1ccc(CC#N)c(C)c1
InChIKey: IXOPCMZOHYZDMX-UHFFFAOYSA-N
分子式: C10H11NO
平均分子量: 161.2 g/mol
単同位体質量: 161.08406397

名称と識別子

優先名称: 2-(4-Methoxy-2-methylphenyl)acetonitrile
IUPAC: 2-(4-methoxy-2-methylphenyl)acetonitrile
現地名: 4-メトキシ-2-メチルフェニルアセトニトリル
英語名: 4-Methoxy-2-methylphenylacetonitrile
分子式: C10H11NO
分子量: 161.2

名称と別名

2-(4-methoxy-2-methylphenyl)acetonitrileRefChem:457882607-891-04-Methoxy-2-methylphenylacetonitrile262298-02-2Benzeneacetonitrile, 4-methoxy-2-methyl-MFCD021783882-METHYL-4-METHOXYPHENYLACETONITRILESCHEMBL1237862DTXSID603966132-(4-methoxy-2-methyl-phenyl)acetonitrile4-Methoxy-2-methylbenzyl cyanide

名称をさらに表示

4-メトキシ-2-メチルフェニルアセトニトリル4-methoxy-2-methylphenylaccetonitrile4-Methoxy-2-Methyl-Benzeneacetonitrile

IXOPCMZOHYZIXOPCMZOHYZDMX-UHFFFAOYSA-NCL8765AKOS006280230(4-methoxy-2-methylphenyl)acetonitrileSY106580TS-02149DB-006856

データベース識別子

CAS: 262298-02-2
PubChem CID: 3801024
DTXSID: DTXSID60396613
EC Number: 607-891-0

物性

構造計算による物性

XLogP: 1.9
極性表面積: 33 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: 2
重原子数: 12
形式電荷: 0
複雑度: 182

物理化学的性質

沸点: 291.4 · 291.4±25.0 °C(Predicted)
比重(密度): 1.033 · 1.033±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.