Benzylmaleimide

HCID 74204CAS 1631-26-1

기본 정보

표준 SMILES: O=C1C=CC(=O)N1Cc1ccccc1
InChIKey: MKRBAPNEJMFMHU-UHFFFAOYSA-N
분자식: C11H9NO2
평균 분자량: 187.19 g/mol
단동위원소 질량: 187.06332853

이름 및 식별자

우선 이름: Benzylmaleimide
IUPAC: 1-benzylpyrrole-2,5-dione
영어명: N-Benzylmaleimide
분자식: C11H9NO2
분자량: 187.19

이름 및 동의어

N-Benzylmaleimide1631-26-1benzylmaleimideUPL94A7TQHNSC-12802DTXSID50167511RefChem:429764DTXCID9090002216-631-11-benzylpyrrole-2,5-dione1-Benzyl-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-(phenylmethyl)-

이름 더 보기

eimideAKOS 90883AKOS MSC-0016BenzylmaleimidASISCHEM D48963N-BenzylmaleimidTIMTEC-BB SBB003693

N-BENZYL MALEIMIDE1-benzyl-2,5-dihydro-1H-pyrrole-2,5-dioneMFCD000145401-(phenylmethyl)-1h-pyrrole-2,5-dione1-benzylazoline-2,5-dione1-benzyl-pyrrole-2,5-dionen-benzylmaleinimideN-BenzYl-Maleimide

데이터베이스 식별자

CAS: 1631-26-1
PubChem CID: 74204
DTXSID: DTXSID50167511
ChEMBL: CHEMBL388979
UNII: UPL94A7TQH
EC Number: 216-631-1
Nikkaji: J195.257I

물성

구조 계산 물성

XLogP: 1
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 70 °C · 70 °C (lit.)
끓는 점: 177 °C · 177 °C / 20mmHg
밀도: 1 g/cm3 · 1 g/cm3
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): -2.21 · -2.21±0.20(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 불용성
BRN: 135801 · 135801
InChI: InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey: MKRBAPNEJMFMHU-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)C(=O)C=CC1=O
NIST: N-benzylmaleimide(1631-26-1)

화학적 성질

off-white to light yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (98%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG 2
HS 번호: 29251900
risk_code: 34-25-20/21
hazard_code: C,T
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도N-Benzylmaleimide is used as plastic additive, Pharmaceutical Intermediates. It is an important raw material intermediate used in organic Synthesis, Pharmaceuticals, Agrochemicals Dyestuff.

일반 설명N-Benzylmaleimide is an N-substituted maleimide and its microwave-mediated facile and fast synthesis has been described. Radical and anionic copolymerization of N-benzylmaleimide with optically active N-(L-menthoxycarbonylmethyl)maleimide has been reported. Base-catalyzed asymmetric cycloaddition of anthrone with N-benzylmaleimide was studied in the presence of C2-chiral pyrrolidines. Stereoselctive iridium-catalyzed double incorporation reaction of styrene with N-benzylmaleimide affords cyclic product.