γ-クロロ-p-イソプロピルブチロフェノン

4-Chloro-4'-isopropylbutyrophenone

HCID 98744

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 70289-38-2
標準SMILES: CC(C)c1ccc(C(=O)CCCCl)cc1
InChIKey: BGOQEVLEIPPQID-UHFFFAOYSA-N
分子式: C13H17ClO
平均分子量: 224.72 g/mol
単同位体質量: 224.0967929

名称と識別子

優先名称: 4-Chloro-4'-isopropylbutyrophenone
IUPAC: 4-chloro-1-(4-propan-2-ylphenyl)butan-1-one
現地名: γ-クロロ-p-イソプロピルブチロフェノン
英語名: 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone
分子式: C13H17ClO
分子量: 224.73

名称と別名

70289-38-24-Chloro-4'-isopropylbutyrophenone4-CHLORO-1-[4-(1-METHYLETHYL)PHENYL]-1-BUTANONESZY13PY3ZIEINECS 274-544-4NSC-163136DTXSID40220543NSC 1631363-CHLOROPROPYL 4-ISOPROPYLPHENYL KETONE1-BUTANONE, 4-CHLORO-1-(4-(1-METHYLETHYL)PHENYL)-4-Chloro-1-(4-(1-methylethyl)phenyl)-1-butanone1-Butanone, 4-chloro-1-[4-(1-methylethyl)phenyl]-

名称をさらに表示

γ-クロロ-p-イソプロピルブチロフェノン4-クロロ-1-[4-(1-メチルエチル)フェニル]-1-ブタノン4-クロロ-1-[4-(プロパン-2-イル)フェニル]ブタン-1-オンγ-Chloro-p-isopropylbutyrophenone4-Chloro-4'-isopropyl-butyrophenone(Fexofenadine Int.)

RefChem:521394DTXCID70143034274-544-44-chloro-1-(4-isopropylphenyl)butan-1-one4-chloro-1-(4-propan-2-ylphenyl)butan-1-oneMFCD000189984-chloro-1-(4-isopropylphenyl)-1-butanone4-chloro-1-[4-(propan-2-yl)phenyl]butan-1-one

データベース識別子

CAS: 70289-38-2
PubChem CID: 98744
DTXSID: DTXSID40220543
UNII: SZY13PY3ZI
EC Number: 274-544-4
Nikkaji: J288.917J

物性

構造計算による物性

XLogP: 3.9
極性表面積: 17.1 Å²
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: 5
重原子数: 15
形式電荷: 0
複雑度: 193

物理化学的性質

沸点: 337.9 · 337.9±25.0 °C(Predicted)
比重(密度): 1.043 · 1.043±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.