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

HCID 9859564CAS 23204-70-8

기본 정보

표준 SMILES: O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIKey: LTENIVFVXMCOQI-UONOGXRCSA-N
분자식: C15H13NO2
평균 분자량: 239.27 g/mol
단동위원소 질량: 239.09462866

이름 및 식별자

우선 이름: (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
IUPAC: (4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one
영어명: (4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
분자식: C15H13NO2
분자량: 239.27

이름 및 동의어

(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;

이름 더 보기

(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 293

물리화학적 성질

녹는점: 227 · 227-232 °C(lit.)
끓는 점: 466.6 · 466.6±45.0 °C(Predicted)
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨)
산도 계수 (pKa): 11.56 · 11.56±0.60(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.