CAS 68641-49-6 Bis(2-oxo-3-oxazolidinyl)phosphinic chloride (HCID 152842)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 68641-49-6
표준 SMILES: O=C1OCCN1P(=O)(Cl)N1CCOC1=O
InChIKey: KLDLRDSRCMJKGM-UHFFFAOYSA-N
분자식: C6H8ClN2O5P
평균 분자량: 254.56 g/mol
단동위원소 질량: 253.98593567

개요

responsible for racemization in peptide synthesis

이름 및 식별자

우선 이름: Bis(2-oxo-3-oxazolidinyl)phosphinic chloride
IUPAC: 3-[chloro-(2-oxo-1,3-oxazolidin-3-yl)phosphoryl]-1,3-oxazolidin-2-one
영어명: Bis(2-oxo-3-oxazolidinyl)phosphinic chloride
분자식: C6H8ClN2O5P
분자량: 254.56

이름 및 동의어

68641-49-6Bis(2-oxo-3-oxazolidinyl)phosphinic chlorideBOP-ClPhosphinic chloride, bis(2-oxo-3-oxazolidinyl)-V974K6W8Y7NSC-377647DTXSID30218732RefChem:120101DTXCID80141223629-561-5MFCD00010077Bis(2-oxooxazolidin-3-yl)phosphinic chloride

이름 더 보기

BOP-CIBOP-CBOPDCidinyLBIS(2-OXO-3-OXPhosphoric acid biBis(2-oxo-3-oxazoL

Phosphoric acid bis(2-oxooxazolidide) chloride3-[chloro-(2-oxo-1,3-oxazolidin-3-yl)phosphoryl]-1,3-oxazolidin-2-onen,n-bis(2-oxo-3-oxazolidinyl)phosphinic chlorideBis(2-oxo-3-oxazolidinyl)phosphonic chloridebis-(2-oxo-3-oxazolidinyl)phosphinic chloridebis(2-oxo-1,3-oxazolidin-3-yl)phosphinic chloride3-[chloro-(2-oxooxazolidin-3-yl)phosphoryl]oxazolidin-2-onen,n-bis(2-oxo-3-oxazolidinyl)phosphonic chloride

데이터베이스 식별자

CAS: 68641-49-6
PubChem CID: 152842
DTXSID: DTXSID30218732

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 76.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 331

물리화학적 성질

녹는점: 191 °C · 191 °C (dec.)(lit.)
끓는 점: 332.8 · 332.8±25.0 °C(Predicted)
밀도: 1.71 · 1.71±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 2 Cl2, · slightly sol CH2Cl2, MeCN, THF, DMF; dec H2O
산도 계수 (pKa): -2.47 · -2.47±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
수용성: 물에 노출되면 가수분해됩니다.
BRN: 3654596 · 3654596
InChI: InChI=1S/C6H8ClN2O5P/c7-15(12,8-1-3-13-5(8)10)9-2-4-14-6(9)11/h1-4H2
InChIKey: KLDLRDSRCMJKGM-UHFFFAOYSA-N
SMILES: P(N1CCOC1=O)(N1CCOC1=O)(Cl)=O

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
rtecs: SZ5871000
ridadr: UN 3261 8/PG 2
HS 번호: 29349990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-27
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

개요Bis(2-oxo-3-oxazolidinyl)phosphinic chloride is a reagent for activating carboxyl groups, converting acids to esters (including thioesters and phosphoesters), amides (including peptides and β-lactams), and anhydrides; reagent for kinetic resolution of racemic carboxylic acids and alcohols.

용도Bis(2-oxo-3-oxazolidinyl)phosphinic chloride was used in the preparation of hexadepsipeptide.