基本情報
- CAS
177550-41-3- 標準SMILES
Cn1ccc(CCl)cc1=O- InChIKey
QBJRHHYKYWPOEL-UHFFFAOYSA-N- 分子式
- C7H8ClNO
- 平均分子量
- 157.6 g/mol
- 単同位体質量
- 157.0294416
名称と識別子
- 優先名称
- 4-(Chloromethyl)-1-methyl-1,2-dihydropyridin-2-one
- IUPAC
- 4-(chloromethyl)-1-methylpyridin-2-one
名称と別名
4-(chloromethyl)-1-methyl-1,2-dihydropyridin-2-one177550-41-3RefChem:515522841-187-64-(chloromethyl)-1-methylpyridin-2-oneMFCD118579734-(chloromethyl)-1-methylpyridin-2(1H)-oneSCHEMBL8389051QBJRHHYKYWPOEL-UHFFFAOYSA-NAKOS006222126AT193024-(chloromethyl)-1-methyl-pyridin-2-one
名称をさらに表示
BS-13278DA-22282SY178104EN300-42863Z431950928
データベース識別子
- CAS
177550-41-3- PubChem CID
- 39871007
- EC Number
- 841-187-6
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 20.3 Ų
- 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
- 10
- 形式電荷
- 0
- 複雑度
- 208
安全と法規制
GHS分類
GHS Classification
Danger
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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. 5 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
関連反応
3 件
化合物ノート
読み込み中…