基本情報
- CAS
98827-32-8- 標準SMILES
CN(C)CCCC(=O)Cl.Cl- InChIKey
BAVSOHJMQHHWFH-UHFFFAOYSA-N- 分子式
- C6H13Cl2NO
- 平均分子量
- 186.08 g/mol
- 単同位体質量
- 185.0374194
名称と識別子
- 優先名称
- 4-(Dimethylamino)butanoyl chloride hydrochloride
- IUPAC
- 4-(dimethylamino)butanoyl chloride;hydrochloride
名称と別名
4-(dimethylamino)butanoyl chloride hydrochloride98827-32-8RefChem:515975820-961-74-(dimethylamino)butanoyl chloride;hydrochlorideSCHEMBL731554BAVSOHJMQHHWFH-UHFFFAOYSA-NYDA827324-(dimethylamino)butanoylchloridehydrochloride4-(Dimethylamino)butyryl Chloride HydrochlorideEN300-208294G48405
データベース識別子
- CAS
98827-32-8- PubChem CID
- 19037478
- EC Number
- 820-961-7
物性
構造計算による物性
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 93
安全と法規制
GHS分類
GHS Classification
Danger
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, 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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
関連反応
1 件
化合物ノート
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