2-Methoxy-4,6-dimethylnicotinonitrile

HCID 595276

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基本情報

CAS: 65515-39-1
標準SMILES: COc1nc(C)cc(C)c1C#N
InChIKey: WEJLKGQPSKTCBR-UHFFFAOYSA-N
分子式: C9H10N2O
平均分子量: 162.19 g/mol
単同位体質量: 162.07931295

名称と識別子

優先名称: 2-Methoxy-4,6-dimethylnicotinonitrile
IUPAC: 2-methoxy-4,6-dimethylpyridine-3-carbonitrile
英語名: 2-Methoxy-4,6-dimethylnicotinonitrile
分子式: C9H10N2O
分子量: 162.19

名称と別名

2-Methoxy-4,6-dimethylnicotinonitrile65515-39-1DTXSID80344237RefChem:474217DTXCID40295312692-428-52-methoxy-4,6-dimethylpyridine-3-carbonitrileMFCD001247163-cyano-2-methoxy-4,6-dimethylpyridine3-Pyridinecarbonitrile, 2-methoxy-4,6-dimethyl-F2130-01032-Methoxy-4,6-dimethyl-nicotinonitrile

名称をさらに表示

2-Methoxy-4,6-dimethyl-3-pyridinecarbonitrile3-Cyano-4,6-dimethyl-2-methoxypyridine, 2-Methoxy-4,6-dimethylpyridine-3-carbonitrile

2-methoxy-3-cyano-4,6-dimethylpyridine3-Cyano-4,6-dimethyl-2-methoxypyridineMaybridge1_0060232-methoxy-4,6-dimethyl-pyridine-3-carbonitrileSCHEMBL2673753SCHEMBL7054779HMS558J17HMS5090O02

データベース識別子

CAS: 65515-39-1
PubChem CID: 595276
DTXSID: DTXSID80344237
EC Number: 692-428-5
Nikkaji: J613.835G

物性

構造計算による物性

XLogP: 1.6
極性表面積: 45.9 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: 12
形式電荷: 0
複雑度: 196

物理化学的性質

融点: 282 · 282-284℃
沸点: 294 · 294.0±35.0 °C(Predicted)
比重(密度): 1.09 · 1.09±0.1 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 1.32 · 1.32±0.18(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；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.