Acenaphthenequinone
기본 정보
- CAS
82-86-0- 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
- 형식 전하
- 0
- 복잡도
- 267
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
Vapor Pressure0.0000157 [mmHg]
Physical DescriptionYellow solid; [HSDB] Yellow powder; [MSDSonline]
Collision Cross Section
145.51 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
143.8 Ų [M+H]+
물리화학적 성질
- 녹는점
- 249 · 249-252 °C (dec.) (lit.)
- 끓는 점
- 67 C · 67 C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
화학 및 산업
용도 및 제조
Uses
Used as fungicide; [HSDB]
Farming (Pesticides) [Category: Industry]
FUNGICIDE
DYE SYNTHESIS /QUINONES/
General Manufacturing Information1,2-Acenaphthylenedione: ACTIVE
응용 분야
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.
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