(4S,5R)-CIS-4,5-ジフェニル-2-オキサゾリジノン

(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone

HCID 9859564CAS 23204-70-8

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIKey: LTENIVFVXMCOQI-UONOGXRCSA-N
分子式: C15H13NO2
平均分子量: 239.27 g/mol
単同位体質量: 239.09462866

名称と識別子

優先名称: (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
IUPAC: (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one
現地名: (4S,5R)-CIS-4,5-ジフェニル-2-オキサゾリジノン
英語名: (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
分子式: C15H13NO2
分子量: 239.27

名称と別名

(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinoneRefChem:403480623-654-423204-70-8(4S,5R)-4,5-Diphenyl-1,3-oxazolidin-2-one(4S,5R)-4,5-diphenyloxazolidin-2-one(4S,5R)-4,5-diphenyl-2-oxazolidinoneMFCD00799526(4S,5R)-cis-4,5-Diphenyloxazolidin-2-onecis-4,5-Diphenyl-2-Oxazolidinone(4S,5R)-(-)-cis-Diphenyl-2-oxazolidinone(4S-cis)-4,5-Diphenyl-2-oxazolidinone; (-)-cis-4,5-Diphenyl-2-oxazolidinone; (4S,5R)-4,5-Diphenyloxazolidin-2-one;

名称をさらに表示

(4S,5R)-CIS-4,5-ジフェニル-2-オキサゾリジノン(4S,5R)-(-)-CIS-ジフェニル-2-オキサゾリジノン(4S,5R)-(−)-CIS-4,5-ジフェニル-2-オキサゾリジノン(4Ｓ,5Ｒ)-4,5-ジフェニル-2-オキサゾリジノン(4S,5R)-45-diphenyloxazolidin-2-one(-)-cis-4,5-Diphenyl-2-oxazolidinone(4S-cis)-4,5-Diphenyl-2-oxazolidinone(4S,5R)-(-)-CIS-4,5-DIPHENYL-2-OXAZOLIDI2-Oxazolidinone, 4,5-diphenyl-, (4S,5R)-(4S,5R)-4,5-Diphenyl-2-oxazolidinone,99%e.e.

19202-66-5rel-(4R*,5S*)-4,5-Diphenyloxazolidine-2-oneSCHEMBL1443275DTXSID70431963LTENIVFVXMCOQI-UONOGXRCSA-N4,5-cis-Diphenyl-2-oxooxazolidineAKOS016842848AS-43482

データベース識別子

CAS: 23204-70-8
PubChem CID: 9859564
DTXSID: DTXSID70431963
EC Number: 623-654-4
Nikkaji: J411.758A

物性

構造計算による物性

XLogP: 2.8
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: 293

物理化学的性質

融点: 227 · 227-232 °C(lit.)
沸点: 466.6 · 466.6±45.0 °C(Predicted)
比重(密度): 1.192 · 1.192±0.06 g/cm3(Predicted)
貯蔵温度: Refrigerator
溶解性: クロロホルム（わずかに）
酸解離定数(Pka): 11.56 · 11.56±0.60(Predicted)
外見: 個体
色: ホワイトからオフホワイト
InChI: 1S/C15H13NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m0/s1
InChIKey: LTENIVFVXMCOQI-UONOGXRCSA-N
SMILES: O=C1N[C@H]([C@H](O1)c2ccccc2)c3ccccc3

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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)

Aggregated GHS information provided per 39 reports by companies from 2 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.