CAS 55943-72-1 1-(2-Bromoethyl)pyrrolidine-2,5-dione (HCID 13561395)

기본 정보

CAS: 55943-72-1
표준 SMILES: O=C1CCC(=O)N1CCBr
InChIKey: AXYDHHRUFSOIAB-UHFFFAOYSA-N
분자식: C6H8BrNO2
평균 분자량: 206.04 g/mol
단동위원소 질량: 204.9738406

이름 및 식별자

우선 이름: 1-(2-Bromoethyl)pyrrolidine-2,5-dione
IUPAC: 1-(2-bromoethyl)pyrrolidine-2,5-dione
현지명: 1-(2-브로모에틸)피롤리딘-2,5-디온
영어명: 1-(2-bromoethyl)pyrrolidine-2,5-dione
분자식: C6H8BrNO2
분자량: 206.04

이름 및 동의어

1-(2-bromoethyl)pyrrolidine-2,5-dione55943-72-1DTXSID10543892RefChem:223252DTXCID50494677803-716-9N-(2-bromoethyl)succinimideMFCD098075782,5-Pyrrolidinedione, 1-(2-bromoethyl)-1-bromo-2-succinimidoethaneSCHEMBL3128954CS-11089

이름 더 보기

1-(2-브로모에틸)피롤리딘-2,5-디온thyl)succinimideN-(2-Brom&œN-(2-Brom&œN-(2-Bromoethyl)succinimideN-(2-Bromoethyl)succinimide 97%N-(2-Bromoethyl)succinimide - [B8292]1-(2-Bromoethyl)-2,5-pyrrolidinedione

SY005159EN300-30700FCA94372N-(2-Bromoethyl)succinimide, 97%AKOS0001640321-(2-Bromoethyl)pyrrolidine-25-dione1-(2-bromo-ethyl)-pyrrolidine-2,5-dioneDB-013424

데이터베이스 식별자

CAS: 55943-72-1
PubChem CID: 13561395
DTXSID: DTXSID10543892
EC Number: 803-716-9
Nikkaji: J2.423.285I

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 56 · 56-60
끓는 점: 150 °C · 150 °C(Press: 6 Torr)
밀도: 1.667 · 1.667±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder
산도 계수 (pKa): -1.6 · -1.60±0.20(Predicted)
InChI: 1S/C6H8BrNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2
InChIKey: AXYDHHRUFSOIAB-UHFFFAOYSA-N
SMILES: BrCCN1C(=O)CCC1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P333+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.