(2-Methyl-3-nitrophenyl)acetonitrile

HCID 13530896

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基本情報

CAS: 23876-14-4
標準SMILES: Cc1c(CC#N)cccc1[N+](=O)[O-]
InChIKey: CFNZYZHZLNOYFQ-UHFFFAOYSA-N
分子式: C9H8N2O2
平均分子量: 176.17 g/mol
単同位体質量: 176.0585775

名称と識別子

優先名称: (2-Methyl-3-nitrophenyl)acetonitrile
IUPAC: 2-(2-methyl-3-nitrophenyl)acetonitrile
英語名: 2-Methyl-3-nitrobenzyl cyanide
分子式: C9H8N2O2
分子量: 176.17

名称と別名

23876-14-4(2-methyl-3-nitrophenyl)acetonitrileDTXSID80543081RefChem:206159DTXCID504938672-methyl-3-nitrobenzyl cyanide2-Methyl-3-nitrobenzylcyanide2-(2-methyl-3-nitrophenyl)acetonitrile2-METHYL-3-NITROPHENYLACETONITRILEMFCD08445661BENZENEACETONITRILE, 2-METHYL-3-NITRO-(2-Methyl-3-nitro-phenyl)-acetonitrile

名称をさらに表示

2-METHYL-3-NITRO3-Nitro-2-methylphenylacetonitrile2-Methyl-3-nitrobenzylcyanide,2-Methyl-3-nitrophenylacetonitrile

SCHEMBL3842149CFNZYZHZLNOYFQ-UHFFFAOYSA-N2-Methyl-3-nitro phenylacetonitrile2-Methyl-3-nitro-phenylacetonitrileSBB065015AKOS009538061AB452952-(2-methyl-3-nitrophenyl)ethanenitrile

データベース識別子

CAS: 23876-14-4
PubChem CID: 13530896
DTXSID: DTXSID80543081
EC Number: 183-642-5

物性

構造計算による物性

XLogP: 2.1
極性表面積: 69.6 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: 238

物理化学的性質

融点: 85 · 85-87 °C
沸点: 339.4 · 339.4±27.0 °C(Predicted)
比重(密度): 1.225 · 1.225±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.