基本情報
- 標準SMILES
O=C(CCCCl)c1ccccc1- InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N- 分子式
- C10H11ClO
- 平均分子量
- 182.64 g/mol
- 単同位体質量
- 182.04984265
名称と識別子
- 優先名称
- 4-Chlorobutyrophenone
- IUPAC
- 4-chloro-1-phenylbutan-1-one
名称と別名
4-Chlorobutyrophenone939-52-6gamma-Chlorobutyrophenone.gamma.-Chlorobutyrophenone1-Butanone, 4-chloro-1-phenyl-.omega.-ChlorobutyrophenoneNSC 76579omega-ChlorobutyrophenoneRefChem:98569213-362-1EINECS 213-362-1GHEFQKHLHFXSBR-UHFFFAOYSA-N
名称をさらに表示
4-chloro-1-phenylbutan-1-one4-chloro-1-oxo-1-phenylbutaneMFCD000010054-Chloro-1-phenyl-1-butanoneNSC76579Chlorpropylphenylketon4-chlorobutyrylbenzene4-chlorobutyro-phenone
データベース識別子
- CAS
939-52-6- PubChem CID
- 253533
- DTXSID
DTXSID10917236- UNII
- QR9PK9JWG3
- EC Number
- 213-362-1
- Nikkaji
- J46.486D
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 17.1 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
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 139
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
関連反応
88 件
関連ノート
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