2-옥소이미드아졸리딘-1-카보닐 클로라이드

2-Oxoimidazolidine-1-carbonyl chloride

HCID 83241CAS 13214-53-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cl)N1CCNC1=O
InChIKey: NXJZQSRAFBHNLI-UHFFFAOYSA-N
분자식: C4H5ClN2O2
평균 분자량: 148.55 g/mol
단동위원소 질량: 148.00395508

이름 및 식별자

우선 이름: 2-Oxoimidazolidine-1-carbonyl chloride
IUPAC: 2-oxoimidazolidine-1-carbonyl chloride
현지명: 2-옥소이미드아졸리딘-1-카보닐 클로라이드
영어명: 2-Oxo-1-imidazolidinecarbonyl chloride
분자식: C4H5ClN2O2
분자량: 148.55

이름 및 동의어

13214-53-42-Oxoimidazolidine-1-carbonyl chloride2-Oxo-1-imidazolidinecarbonyl chlorideEINECS 236-185-1DTXSID20157368RefChem:477789DTXCID4079859236-185-11-Chlorocarbonyl-2-imidazolidinone1-Imidazolidinecarbonyl chloride, 2-oxo-MFCD026835291-Chloroformyl-2-imidazolidinone

이름 더 보기

2-옥소이미드아졸리딘-1-카보닐 클로라이드2-옥소-1-이미다졸리딘카르보닐클로라이드TIMTEC-BB SBB0040822-Oxo-1-imidazolidin2-Oxo-imidazolindine-1-carbony1-Chlorocarbonyl-2-Imidazolidone1-Chlorocarbonyl-2-Imidazollidone1-Chloroformylimidazolidinyl-2-one

oxo-1-imidazolidinecarbonyl chloride2-Oxo-imidazolidine-1-carbonyl chlorideLS-02348N-Chlorocarbonyl-2-imidazolidinoneFT-0636842Ethyleneallophanoyl chlorideSCHEMBL134244N-chlorocarbonylimidazolid-2-one

데이터베이스 식별자

CAS: 13214-53-4
PubChem CID: 83241
DTXSID: DTXSID20157368
EC Number: 236-185-1
Nikkaji: J213.755K

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 49.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 147 · 147-151 °C(lit.)
밀도: 1.509 · 1.509±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 12.62 · 12.62±0.20(Predicted)
InChI: 1S/C4H5ClN2O2/c5-3(8)7-2-1-6-4(7)9/h1-2H2,(H,6,9)
InChIKey: NXJZQSRAFBHNLI-UHFFFAOYSA-N
SMILES: ClC(=O)N1CCNC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reactant for ytterbium metal promoted reactionsReactant for synthesis of selenoesters by samarium diiodide induced reductive cleavage of Se-Se bonds

일반 설명2-Oxo-1-imidazolidinecarbonyl chloride (Ethyleneallophanoyl chloride) is an imidazoline derivative. It is a straight-chain allophanoyl chloride.