基本情報
- CAS
1082066-49-6- 標準SMILES
Cn1cnc(-n2cc(C=O)cn2)c1- InChIKey
IQUSSGUFGHSTJV-UHFFFAOYSA-N- 分子式
- C8H8N4O
- 平均分子量
- 176.18 g/mol
- 単同位体質量
- 176.06981089
名称と識別子
- 優先名称
- 1-(1-Methyl-1H-imidazol-4-yl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-(1-methylimidazol-4-yl)pyrazole-4-carbaldehyde
名称と別名
1-(1-Methyl-1H-imidazol-4-yl)-1H-pyrazole-4-carbaldehyde1082066-49-6SCHEMBL3322559IQUSSGUFGHSTJV-UHFFFAOYSA-NEN300-1116346
データベース識別子
- CAS
1082066-49-6- PubChem CID
- 86641655
- EC Number
- 181-821-2
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 52.7 Ų
- 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
- 2
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 199
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
関連反応
2 件
化合物ノート
読み込み中…