5-Bromoisatin (HCID 6889)

개요

5-Bromoisatin is a member of indoles. It has a role as an anticoronaviral agent.

이름 및 식별자

우선 이름: 5-Bromoisatin
IUPAC: 5-bromo-1H-indole-2,3-dione
현지명: 5-브로모이사틴
영어명: 5-Bromoisatin
분자식: C8H4BrNO2
분자량: 226.03

이름 및 동의어

5-Bromoisatin87-48-95-Bromo-1H-indole-2,3-dione5-Bromoindole-2,3-dioneIsatin, 5-bromo-5-Bromisatin1H-Indole-2,3-dione, 5-bromo-NSC-4980DZU75P8VY8DTXSID30236037RefChem:534061DTXCID30158528

이름 더 보기

5-브로모이사틴BromoIsatin5-BROMO-3-CHLORO-2-METHYLPYRIDINENSC 4980AKOS B0289345-bromo-isatiAKOS BBS-00000997

201-747-75-Bromoindoline-2,3-dione5-bromo-2,3-dihydro-1H-indole-2,3-dione5-bromo-isatin5-bromo-2-hydroxy-3H-indol-3-oneMFCD00005719INDOLE-2,3-DIONE, 5-BROMO-5-Bromo-2,3-indolinedione

데이터베이스 식별자

CAS: 87-48-9
PubChem CID: 6889
DTXSID: DTXSID30236037
ChEMBL: CHEMBL115897
ChEBI: CHEBI:149786
UNII: DZU75P8VY8
EC Number: 201-747-7
Nikkaji: J3.901B

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 241

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 247 · 247-252 °C (lit.)
밀도: 1.7498 · 1.7498 (rough estimate)
굴절률: 1.612 · 1.6120 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: N,N 디메틸포름아미드에 용해됩니다.
산도 계수 (pKa): 8.74 · 8.74±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 오렌지 레드
BRN: 383760 · 383760
InChI: InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey: MBVCESWADCIXJN-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C(=O)C1=O

화학적 성질

Orange crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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: 2
rtecs: NL7875000
ridadr: 2811
HS 번호: 29337900
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-36/39-37/39-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-Bromoisatin is used in the synthesis of N-derivatives of 5-bromoisatin, N-substituted pyrroles, linear polyaryleneoxindoles, 5-bromodioxindole, cinchoninic acid derivatives, 3-hydroxyoxindole, S-benzyldithiocarbazate Schiff Bases, 5-bromooxindole and Morita-Baylis-Hillman adducts of isatin derivatives. It is an indole derivative.

일반 설명5-Bromoisatin is a 5-haloisatin. One of the methods reported for its synthesis is by reacting N-halosaccharins with isatin in the presence of SiO2. Its inotropic activity has been studied on rhythmically stimulated papillary muscles of guinea pigs. It is reported to exhibit analgesic and sedative properties at a dose of 0.2g/kg in mice.

상·하류 제품 정보

하류 제품

5-Bromoisatoic anhydride 6-브로모-3-하이드록시퀴놀린 5-NITROISATOIC ANHYDRIDE 6-Bromoisatinic anhydride 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) INDOLIN-2-ONE 5-브로모-1H-인다졸-3-카르발데하이드 6-BROMO-2-(4-BROMO-페닐)-퀴놀린-4-카르복실산 7-브로모-1,2,3,4-테트라하이드로-아크리딘-9-카복실산 4-Quinolinecarboxylic acid, 6-bromo-2-(2-fluoro-5-methylphenyl)-4-Quinolinecarboxylic acid, 6-bromo-2-(4-fluoro-2-methylphenyl)-Hydrazinecarbothioamide, 2-(5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)-5-브로모-1H-인다졸-3-카르복실산

공급사50 곳

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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5-브로모이사틴

기본 정보

개요