1,8-다이클로로안트라퀴논

1,8-Dichloroanthraquinone

HCID 6708CAS 82-43-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21
InChIKey: VBQNYYXVDQUKIU-UHFFFAOYSA-N
분자식: C14H6Cl2O2
평균 분자량: 277.1 g/mol
단동위원소 질량: 275.97448479

이름 및 식별자

우선 이름: 1,8-Dichloroanthraquinone
IUPAC: 1,8-dichloroanthracene-9,10-dione
현지명: 1,8-다이클로로안트라퀴논
영어명: 1,8-Dichloroanthraquinone
분자식: C14H6Cl2O2
분자량: 277.1

이름 및 동의어

1,8-Dichloroanthraquinone9,10-Anthracenedione, 1,8-dichloro-EINECS 201-420-9BRN 1979205AI3-38302NSC 7209Anthraquinone, 1,8-dichloroDTXSID80588734-07-00-02560 (Beilstein Handbook Reference)1,8DichloranthrachinonRefChem:73741Anthraquinone, 1,8dichloro

이름 더 보기

1,8-다이클로로안트라퀴논1,8-DichLoroanthraquinone1,8-dichloro-anthraquinon1,8-Dichloroanthraquinone,97%1,8-Dichloroanthraquinone,96%1,8-Dichloroanthraquinone >1,8-Dichloroanthra-9,10-quinone1,8-Dichloro-9,10-anthraquinone

1,8Dichloro9,10anthraquinoneDTXCID60482509,10Anthracenedione, 1,8dichloro201-420-9VBQNYYXVDQUKIU-UHFFFAOYSA-N82-43-91,8-dichloroanthracene-9,10-dione1,8-Dichloranthrachinon

데이터베이스 식별자

CAS: 82-43-9
PubChem CID: 6708
DTXSID: DTXSID8058873
UNII: HNW5L47GP6
EC Number: 201-420-9
Nikkaji: J53.414E

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 350

실험 및 물리화학적 성질

Chemical ClassesDyes -> Anthraquinone Dyes

SpringerMaterials PropertiesCrystal structure

Physical DescriptionPowder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 201.5 · 201.5-203 °C (lit.)
끓는 점: 387.84 °C · 387.84°C (rough estimate)
밀도: 1.324 · 1.3240 (rough estimate)
증기압: 0 · 0-0Pa at 25℃
굴절률: 1.473 · 1.4730 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: Solid:particulate/powder
색상: White to Green to Brown
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H
InChIKey: VBQNYYXVDQUKIU-UHFFFAOYSA-N
SMILES: C1(Cl)=C2C(C(=O)C3=C(C2=O)C(Cl)=CC=C3)=CC=C1
LogP: 4.63 · 4.63
EPA: 1 · 1,8-Dichloroanthraquinone (82-43-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 27.3% (3 of 11) of reports.

Warning

H315 (18.2%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22982

Hazards SummaryA mild eye irritant; [RTECS] An eye irritant; [Alfa Aesar MSDS] See 1-Amino-5-chloroanthraquinone.

Hazard Classes and CategoriesSkin Irrit. 2 (18.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CB6496000
HS 번호: 2914790090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
기존화학 물질: 2009-3-3718
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information9,10-Anthracenedione, 1,8-dichloro-: ACTIVE

응용 분야

용도1,8-Dichloroanthraquinone is a reagent in the preparation of anthraquinones, which has antitumor activities. It is used as primary and secondary intermediate.