3-아세틸-1-클로로카르보닐-2-이미다졸리돈

3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone

HCID 11229265CAS 41730-71-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)N1CCN(C(=O)Cl)C1=O
InChIKey: CCRQBNJTBJRTJD-UHFFFAOYSA-N
분자식: C6H7ClN2O3
평균 분자량: 190.58 g/mol
단동위원소 질량: 190.01451976

이름 및 식별자

우선 이름: 3-Acetyl-1-Chlorocarbonyl-2-Imidazolidone
IUPAC: 3-acetyl-2-oxoimidazolidine-1-carbonyl chloride
현지명: 3-아세틸-1-클로로카르보닐-2-이미다졸리돈
영어명: 3-Acetyl-1-chlorocarbonyl-2-imidazolidone
분자식: C6H7ClN2O3
분자량: 190.58

이름 및 동의어

41730-71-63-Acetyl-1-Chlorocarbonyl-2-ImidazolidoneDTXSID40459396RefChem:276165DTXCID904102153-acetyl-2-oxoimidazolidine-1-carbonyl chloride1-Chlorocarbonyl-3-acetyl-2-imidazolidinone3-acetyl-2-oxo-imidazolidine-1-carbonyl ChlorideSCHEMBL8628607CCRQBNJTBJRTJD-UHFFFAOYSA-NAKOS006292337DB-004643

이름 더 보기

3-아세틸-1-클로로카르보닐-2-이미다졸리돈4-Cheoro-2-AMin phenol-5-Sulfon aMide1-Chlorocarbonyl-3-acetyl-2-imidazolidone3-ACETYL-1-CHLOROFORMYL-2-IMIDAZOLIDINONE1-Chloroformyl-3-acetyl-2-imidazolidinone3-Chlorocarbonyl-1-acetyl-2-imidazolidinone3-ACETYL-2-IMIDAZOLIDINONE-1-CARBONYL CHLORIDE3-ACETYL-2-OXO-1-IMIDAZOLIDINECARBONYL CHLORIDE

3-Acetyl-imidazolidin-2-on-1-carbonyl chlorideEN300-23019232

데이터베이스 식별자

CAS: 41730-71-6
PubChem CID: 11229265
DTXSID: DTXSID40459396
EC Number: 981-775-0
Nikkaji: J1.415.257A

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 57.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 102 · 102-104°C
끓는 점: 278 °C · 278°C
밀도: 1.528 · 1.528
인화점: 122 °C · 122°C
산도 계수 (pKa): -2.31 · -2.31±0.20(Predicted)
InChI: InChI=1S/C6H7ClN2O3/c1-4(10)8-2-3-9(5(7)11)6(8)12/h2-3H2,1H3
InChIKey: CCRQBNJTBJRTJD-UHFFFAOYSA-N
SMILES: C(Cl)(N1C(=O)N(C(C)=O)CC1)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.