7-フルオロ-3,4-ジヒドロ-4-メチル-1H-1,4-ベンゾジアゼピン-2,5-ジオン

3,4-Dihydro-7-fluoro-4-methyl-1H-1,4-benzodiazepine-2,5-dione

HCID 658990

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 78755-80-3
標準SMILES: CN1CC(=O)Nc2ccc(F)cc2C1=O
InChIKey: BKHGZIQXTHAVNJ-UHFFFAOYSA-N
分子式: C10H9FN2O2
平均分子量: 208.19 g/mol
単同位体質量: 208.06480575

名称と識別子

優先名称: 3,4-Dihydro-7-fluoro-4-methyl-1H-1,4-benzodiazepine-2,5-dione
IUPAC: 7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
現地名: 7-フルオロ-3,4-ジヒドロ-4-メチル-1H-1,4-ベンゾジアゼピン-2,5-ジオン
英語名: 7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione
分子式: C10H9FN2O2
分子量: 208.19

名称と別名

3,4-Dihydro-7-fluoro-4-methyl-1H-1,4-benzodiazepine-2,5-dioneRefChem:486202811-382-078755-80-37-FLUORO-4-METHYL-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE7-FLUORO-3,4-DIHYDRO-4-METHYL-1H-1,4-BENZODIAZEPINE-2,5-DIONEFlumazenil EP Impurity D7-fluoro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dioneFlumazenil dione1H-1,4-Benzodiazepine-2,5-dione, 7-fluoro-3,4-dihydro-4-methyl-MFCD010630907-fluoro-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

名称をさらに表示

7-フルオロ-3,4-ジヒドロ-4-メチル-1H-1,4-ベンゾジアゼピン-2,5-ジオンFlumazenil impurity D (EP)Flumazenil Impurity 4(Flumazenil EP Impurity D)1H-1,4-Benzodiazepine-2,5-dione, 7-fluoro-3,4-dihydro-4-meth...1H-1,4-Benzodiazepine-2,5-dione, 7-fluoro-3,4-dihydro-4- Methyl-

5JJ4V0H2YN3,4-DIHYDRO-7-FLUORO-4-METHYL-2H-1,4-BENZODIAZEPINE-2,5(1H)-DIONE7-Fluoro-4-methyl-3,4-dihydro-1H-benzo(E)(1,4)diazepine-2,5-dioneFlumazenil Impurity D7-fluoro-4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2,5-dioneSMR000039984Flumazenil dione [USP]UNII-5JJ4V0H2YN

データベース識別子

CAS: 78755-80-3
PubChem CID: 658990
DTXSID: DTXSID30349737
ChEMBL: CHEMBL1575282
UNII: 5JJ4V0H2YN
EC Number: 811-382-0
Nikkaji: J1.880.039J

物性

構造計算による物性

XLogP: 0.5
極性表面積: 49.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 15
形式電荷: 0
複雑度: 295

物理化学的性質

沸点: 434.5 · 434.5±45.0 °C(Predicted)
比重(密度): 1.315 · 1.315
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 12.02 · 12.02±0.20(Predicted)
外見: powder
色: Peach crystalline needles

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2933998090

化学と産業

応用分野

使用7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione, is used as a reactant in the synthetic preparation of 18F-labeled radiotracers for γ-aminobutyric acid A (GABAA) receptor positron emission tomography (PET) imaging.