2-(4-Methoxyphenyl)-2-methylpropanenitrile

HCID 219166CAS 5351-07-5

基本情報

標準SMILES: COc1ccc(C(C)(C)C#N)cc1
InChIKey: CDCRUVGWQJYTFO-UHFFFAOYSA-N
分子式: C11H13NO
平均分子量: 175.23 g/mol
単同位体質量: 175.09971404

名称と識別子

優先名称: 2-(4-Methoxyphenyl)-2-methylpropanenitrile
IUPAC: 2-(4-methoxyphenyl)-2-methylpropanenitrile
英語名: 2-(4-Methoxyphenyl)-2-methylpropanenitrile
分子式: C11H13NO
分子量: 175.23

名称と別名

2-(4-methoxyphenyl)-2-methylpropanenitrileDTXSID50276955RefChem:457928DTXCID90228115684-407-45351-07-5MFCD002298682-(4-Methoxyphenyl)-2-methylpropionitrileBenzeneacetonitrile,4-methoxy-a,a-dimethyl-2-(4-methoxy-phenyl)-2-methyl-propionitrileNSC98SCHEMBL989065

名称をさらに表示

Benzeneacetonitrile, 4-methoxy-α,α-dimethyl-

NSC-98CDCRUVGWQJYTFO-UHFFFAOYSA-NSBB055157AKOS010213991DS-2885SY002170TS-024262-(4-methoxyphenyl)-2-methyl-propionitrile

データベース識別子

CAS: 5351-07-5
PubChem CID: 219166
DTXSID: DTXSID50276955
EC Number: 684-407-4
Nikkaji: J1.259.844K

物性

構造計算による物性

XLogP: 2.5
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: 13
形式電荷: 0
複雑度: 205

物理化学的性質

沸点: 111 · 111-113 °C
比重(密度): 1.009 · 1.009±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

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.