2,3-디브로모-N-메틸말레이미드

2,3-Dibromo-N-methylmaleimide

HCID 18155CAS 3005-27-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1C(=O)C(Br)=C(Br)C1=O
InChIKey: CKITYUQKOJMMOI-UHFFFAOYSA-N
분자식: C5H3Br2NO2
평균 분자량: 268.89 g/mol
단동위원소 질량: 266.85305254

이름 및 식별자

우선 이름: 2,3-Dibromo-N-methylmaleimide
IUPAC: 3,4-dibromo-1-methylpyrrole-2,5-dione
현지명: 2,3-디브로모-N-메틸말레이미드
영어명: 2,3-Dibromo-N-methylmaleimide
분자식: C5H3Br2NO2
분자량: 268.89

이름 및 동의어

2,3-Dibromo-N-methylmaleimideRefChem:441983625-814-93005-27-4N-Methyl-2,3-dibromomaleimide3,4-dibromo-1-methylpyrrole-2,5-dioneN-Methyl-dibromomaleinimideMALEIMIDE, DIBROMO-N-METHYL-3,4-dibromo-1-methyl-2,5-dihydro-1H-pyrrole-2,5-dione3,4-Dibromo-1-methyl-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 3,4-dibromo-1-methyl-Maleimide, 2,3-dibromo-N-methyl-

이름 더 보기

2,3-디브로모-N-메틸말레이미드3,4-dibromo-1-methyl-pyrrole-2,5-dioneSKL607dibromo-n-methyl-maleimidN-METHYLDIBROMOMALEINIMIDE2,3-DibroMo-N-MethylMaleiMide 99%

MFCD00102284NSC 120444BRN 01291493,4-Dibromo-N-methylmaleimideDibromo-N-methylmaleimideV5U5TK6UT53,4-Dibromo-N-methylpyrrole-2,5-dione5-21-10-00050 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS: 3005-27-4
PubChem CID: 18155
DTXSID: DTXSID10184108
UNII: V5U5TK6UT5
EC Number: 625-814-9
Nikkaji: J171.280B

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 120 · 120-124 °C (lit.)
끓는 점: 105 °C · 105°C (rough estimate)
밀도: 2.2935 · 2.2935 (rough estimate)
굴절률: 1.64 · 1.6400 (estimate)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): -6.23 · -6.23±0.60(Predicted)
InChI: 1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
InChIKey: CKITYUQKOJMMOI-UHFFFAOYSA-N
SMILES: CN1C(=O)C(Br)=C(Br)C1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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 CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: ON5125000
HS 번호: 2933998090
risk_code: 22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,3-Dibromo-N-methylmaleimide can be used to synthesize bis-indolylmaleimides via reaction with indolyl magnesium bromide. It can also undergo mono-cross coupling with triorganoindium derivatives which can be further coupled with naphthodithiophene to form an intermediate for [5]thiahelicene synthesis.