CAS 5014-83-5 4,5-Diphenyl-4-oxazolin-2-one (HCID 151245)

基本情報

CAS: 5014-83-5
標準SMILES: O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)o1
InChIKey: LDPBTGBWTUWCBU-UHFFFAOYSA-N
分子式: C15H11NO2
平均分子量: 237.25 g/mol
単同位体質量: 237.07897859

名称と識別子

優先名称: 4,5-Diphenyl-4-oxazolin-2-one
IUPAC: 4,5-diphenyl-3H-1,3-oxazol-2-one
英語名: 4,5-diphenyl-2(3H)-Oxazolone
分子式: C15H11NO2
分子量: 237.25

名称と別名

5014-83-54,5-Diphenyl-4-oxazolin-2-oneDTXSID70198221RefChem:96554DTXCID001207124,5-diphenyl-2,3-dihydro-1,3-oxazol-2-one4,5-diphenyl-3H-1,3-oxazol-2-one4,5-DIPHENYL-3H-OXAZOL-2-ONE4,5-diphenyl-2(3H)-Oxazolone4,5-Diphenyloxazol-2(3H)-one2(3H)-Oxazolone, 4,5-diphenyl-MLS001177407

名称をさらに表示

Papaverine Impurity 6 (Papaverine EP Impurity F)

4,5-Diphenyl-4-oxazolin-2-one; 4,5-Diphenyl-2-oxazolone; 4,5-Diphenyl-4-oxazolin-2-one; 4,5-Diphenyloxazolin-2-one4,5-diphenyloxazolone4,5-diphenyloxazol-2-ol4,5-diphenyl-2-oxazolone4,5-Diphenyloxazol-2-oneSCHEMBL3490095SCHEMBL6162620CHEMBL1485846

データベース識別子

CAS: 5014-83-5
PubChem CID: 151245
DTXSID: DTXSID70198221
ChEMBL: CHEMBL1485846
EC Number: 981-716-9
Nikkaji: J392.219G

物性

構造計算による物性

XLogP: 3
極性表面積: 38.3 Å²
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: 2
重原子数: 18
形式電荷: 0
複雑度: 350

実験および物理化学的性質

Solubility14.8 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 211 °C · 211 °C
比重(密度): 1.249 · 1.249±0.06 g/cm3(Predicted)
溶解性: soluble in Dichloromethane, DMSO, Ethyl Acetate
外見: Solid
酸解離定数(Pka): 7.79 · 7.79±0.60(Predicted)
色: Light Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.