Acenaphthenequinone

HCID 6724CAS 82-86-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C1C(=O)c2cccc3cccc1c23
InChIKey
AFPRJLBZLPBTPZ-UHFFFAOYSA-N
분자식
C12H6O2
평균 분자량
182.17 g/mol
단동위원소 질량
182.03677943

개요

Acenaphthoquinone is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has a role as an epitope and a chain carrier. It derives from a hydride of an acenaphthene.

이름 및 식별자

우선 이름
Acenaphthenequinone
IUPAC
acenaphthylene-1,2-dione
영어명
Acenaphthenequinone
분자식
C12H6O2
분자량
182.17

이름 및 동의어

Acenaphthenequinone82-86-0acenaphthylene-1,2-dione1,2-ACENAPHTHYLENEDIONEAcenaphthoquinoneAcenaphthenedione1,2-AcenaphthenedioneAcenaphthaquinone1,2-AcenaphthenequinoneAcenaphthylenequinoneAcenaphthylene-1,2-quinone1,2-Diketoacenaphthene
이름 더 보기
ACQACENAPHTHEQUINONEAKOS 92207
DTXSID70494293950D6UEIQCHEBI:15342NSC-7656DTXCID6029389RefChem:411067201-441-3MFCD00003805

데이터베이스 식별자

CAS
82-86-0
PubChem CID
6724
DTXSID
DTXSID7049429
ChEMBL
CHEMBL395653
ChEBI
CHEBI:15342
UNII
3950D6UEIQ
EC Number
201-441-3
Nikkaji
J192.605E

물성

구조 계산 물성

XLogP
1.9
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
14

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure
PesticidesPesticides -> Fungicides
LogP1.95
Color/FormYELLOW NEEDLES FROM ACETIC ACID
SolubilityINSOL IN WATER; SLIGHTLY SOL IN ACETIC ACID; SLIGHTLY SOL IN ALC, HOT BENZENE; HOT PETROLEUM ETHER
Melting Point261 °C

물리화학적 성질

녹는점
249 · 249-252 °C (dec.) (lit.)
끓는 점
67 C · 67 C
밀도
1.48 · 1.4800
굴절률
1.6086 · 1.6086 (estimate)
저장 조건
Refrigerator
용해도
클로로포름에 용해됨

화학적 성질

ochre powder and granules

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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

Regulatory InformationAcenaphthenequinone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Human Toxicity ExcerptsQUINONES...SHOWN TO BE RESPONSIBLE FOR BROWN DISCOLORATION OF CORNEA & EXPOSED BULBAR CONJUNCTIVA WHICH GRADUALLY DEVELOPED IN WORKERS WHO WERE EXPOSED TO VAPORS ASSOCIATED WITH MFR...OF SYNTHETIC ANILINE DYES. /QUINONES/
Non-Human Toxicity ExcerptsCONJUGATED DOUBLE BONDS IN QUINONE RINGS ARE VERY REACTIVE CHEM, ESP WITH SULFHYDRYL GROUPS. PRESUMABLY AS RESULT OF THIS REACTIVITY, QUINONES COMMONLY INHIBIT MITOTIC PROCESSES, INACTIVATE ENZYMES, & DENATURE PROTEINS. /QUINONES/
Non-Human Toxicity ValuesLD50 ALTERNARIA SOLAN: 10 PPM ON SLIDES

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AB1024500
ridadr
UN 2920
독성
LD50 unr-rat: 728 mg/kg RPTOAN 41,146,78
HS 번호
29146990

화학 및 산업

용도 및 제조

Uses · 4건

Used as fungicide; [HSDB]

Farming (Pesticides) [Category: Industry]

FUNGICIDE

DYE SYNTHESIS /QUINONES/

General Manufacturing Information1,2-Acenaphthylenedione: ACTIVE
응용 분야 · 1건

용도Acenaphthenequinone is used in the preparation of acetylcholinesterase inhibitory agents. It is also used in the preparation of turn-on sensors for cysteine/homocysteine and its application in bioimaging. Further, it is used as an intermediate in manufacturing of dyes and pharmaceuticals. In addition to this, it is used in chemical research as a drug and therapeutic agent.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: A member of the class of orthoquinones that is the 1,2-dioxo derivative of acenaphthene.

관련 반응

15건
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