2-Anthraquinonecarboxylic acid

HCID 67030CAS 117-78-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey: ASDLSKCKYGVMAI-UHFFFAOYSA-N
분자식: C15H8O4
평균 분자량: 252.22 g/mol
단동위원소 질량: 252.04225874

개요

2-carboxyanthraquinone has been reported in Handroanthus impetiginosus with data available.

이름 및 식별자

우선 이름: 2-Anthraquinonecarboxylic acid
IUPAC: 9,10-dioxoanthracene-2-carboxylic acid
영어명: ANTHRAQUINONE-2-CARBOXYLIC ACID
분자식: C15H8O4
분자량: 252.22

이름 및 동의어

117-78-22-Anthraquinonecarboxylic acid9,10-Anthraquinone 2-carboxylic acid2-Carboxyl-9,10-anthraquinone2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo-beta-Anthraquinonecarboxylic acid2-Anthroic acid, 9,10-dihydro-9,10-dioxo-NSC-50013WS64LL78MAQCA-9,10DTXSID70151659RefChem:548778

이름 더 보기

10-Dihydro-9ANTHRAQUINONE-2-CARBOXYLATEANTRAQUINONE-2-CARBOXYLIC ACIDBETA-ANTHRAQUINONE CARBOXYLIC AIDAnthraquinone-2-carboxylic acid 98%Anthraquinone-2-carboxylic Acid >9,10-anthraquinone 2-carboxylic acid

DTXCID8074150204-207-9Anthraquinone-2-carboxylic acid9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid9,10-Dioxoanthracene-2-carboxylic acid2-Carboxyanthraquinone9,10-Dihydro-9,10-dioxo-2-anthracenecarboxylic acidC15H8O4

데이터베이스 식별자

CAS: 117-78-2
PubChem CID: 67030
DTXSID: DTXSID70151659
ChEMBL: CHEMBL455581
UNII: 3WS64LL78M
EC Number: 204-207-9
Nikkaji: J32.556B

물성

구조 계산 물성

XLogP: 3
극성 표면적: 71.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 19
형식 전하: 0
복잡도: 428

물리화학적 성질

녹는점: 287 · 287-289 °C (lit.)
끓는 점: 355.4 °C · 355.4°C (rough estimate)
밀도: 1.469 · 1.469
굴절률: 1.4872 · 1.4872 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 뜨거운 아세트산(거의 투명도)에 용해됩니다.
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1: 3.42 (20°C)
색상: White to Amber
안정성: 안정적인. 강한 산화제와 호환되지 않습니다.
InChI: InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
InChIKey: ASDLSKCKYGVMAI-UHFFFAOYSA-N
SMILES: C1=C2C(C(=O)C3=C(C2=O)C=CC=C3)=CC=C1C(O)=O

화학적 성질

solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24481

Hazard Classes and CategoriesMuta. 2 (66.7%)

안전 데이터

wgk: 3
HS 번호: 29183000
hazard_code: Xi
safety_code: 24/25
기존화학 물질: 2012-3-5413
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Anthraquinone 2-carboxylic acid (AQ) as a novel electron shuttling mediator and attached electron relay for HRP. Efficient method for the generation of hydrogen peroxide by aerobic photooxidation of 2-propanol using anthraquinone-2-carboxylic acid and molecular oxygen is investigated.