1-페닐리사틴

1-Phenylisatin

HCID 12884CAS 723-89-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1C(=O)N(c2ccccc2)c2ccccc21
InChIKey: UWCPWBIMRYXUOU-UHFFFAOYSA-N
분자식: C14H9NO2
평균 분자량: 223.23 g/mol
단동위원소 질량: 223.06332853

이름 및 식별자

우선 이름: 1-Phenylisatin
IUPAC: 1-phenylindole-2,3-dione
현지명: 1-페닐리사틴
영어명: 1-Phenylisatin
분자식: C14H9NO2
분자량: 223.23

이름 및 동의어

1-Phenylisatin723-89-71-phenylindole-2,3-dione1H-Indole-2,3-dione, 1-phenyl-DTXSID20222626RefChem:435721DTXCID50145117624-596-21-Phenylindoline-2,3-dione1-Phenyl-1H-indole-2,3-dioneN-Phenylisatin1-phenyl-2,3-dihydro-1H-indole-2,3-dione

이름 더 보기

1-페닐리사틴1-PHENYLSATIN1-Phenylisatine1-Phenylisatin,98%1-Phenylisatin >1-phenyl-indole-3-dione

1-Phenyl-indole-2,3-dioneMFCD00082681INDOLE-2,3-DIONE, 1-PHENYL-Phenyl IsatinN-phenyl isatinNSC 100013BRN 01645311-Phenyl-2,3-indolinedione

데이터베이스 식별자

CAS: 723-89-7
PubChem CID: 12884
DTXSID: DTXSID20222626
ChEMBL: CHEMBL117447
EC Number: 624-596-2
Nikkaji: J64.785C

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 333

물리화학적 성질

녹는점: 138 · 138-140 °C (lit.)
끓는 점: 388.8 · 388.8±25.0 °C(Predicted)
밀도: 1.338 · 1.338±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -7.03 · -7.03±0.20(Predicted)
색상: 밝은 노란색에서 갈색까지
수용성: 물에 불용성.
BRN: 164531 · 164531
InChI: InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
InChIKey: UWCPWBIMRYXUOU-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C2=C(C=CC=C2)C(=O)C1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (95%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (95%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (95%)；Acute Tox. 3 (95%)；Acute Tox. 3 (95%)

안전 데이터

wgk: 3
rtecs: NL7984000
HS 번호: 29337900
risk_code: 23/24/25
hazard_code: T
safety_code: 27-28-36/37/39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1-Phenylisatin is a reactant for preparation of indolin-2,3-dione Schiff bases as potential antimycobacterial agents, antipyretic agents, antiproliferative agents, phenylacetamides as anticonvulsant agents and selective Galanin GAL3 receptor antagonists.

일반 설명1-Phenylisatin is an isatin. It is a potential anticancer, anti-HIV drug. Its binding interaction with a model transport protein bovine serum albumin (BSA) has been investigated using fluorescence spectroscopic technique. Interactions between human adult hemoglobin (Hb) and 1-phenylisatin has been investigated by steady state and time-resolved fluorescence along with circular dichroism (CD) spectroscopic, FTIR and anisotropy.