2-(1-methyl-1H-indol-3-yl)acetonitrile

HCID 10654720

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 51584-17-9
標準SMILES: Cn1cc(CC#N)c2ccccc21
InChIKey: DHAXZZYQEUESTH-UHFFFAOYSA-N
分子式: C11H10N2
平均分子量: 170.21 g/mol
単同位体質量: 170.08439833

名称と識別子

優先名称: 2-(1-methyl-1H-indol-3-yl)acetonitrile
IUPAC: 2-(1-methylindol-3-yl)acetonitrile
英語名: 1-Methylindole-3-acetonitrile
分子式: C11H10N2
分子量: 170.21

名称と別名

2-(1-methyl-1H-indol-3-yl)acetonitrileRefChem:451049821-773-851584-17-91-Methylindole-3-acetonitrile1-Methyl indole-3-acetonitrile2-(1-methylindol-3-yl)acetonitrileMFCD09038157(1-methyl-1H-indol-3-yl)acetonitrile2-(1-Methyl-3-indolyl)acetonitrile1-Methyl-3-indolylacetonitrileSCHEMBL5645566

名称をさらに表示

1H-Indole-3-acetonitrile, 1-methyl-

SCHEMBL30958471DTXSID30442994DHAXZZYQEUESTH-UHFFFAOYSA-N2-(1-methylindol-3-yl)ethanenitrileAKOS005146229FS-3760SB15044AC-22978

データベース識別子

CAS: 51584-17-9
PubChem CID: 10654720
DTXSID: DTXSID30442994
EC Number: 821-773-8
Nikkaji: J834.535J

物性

構造計算による物性

XLogP: 1.7
極性表面積: 28.7 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: 227

物理化学的性質

融点: 58 · 58-59 °C
沸点: 123 · 123-131 °C(Press: 0.15 Torr)
比重(密度): 1.06 · 1.06±0.1 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

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.