1,5-Diaminoanthraquinone
기본 정보
- CAS
129-44-2- 표준 SMILES
Nc1cccc2c1C(=O)c1cccc(N)c1C2=O- InChIKey
VWBVCOPVKXNMMZ-UHFFFAOYSA-N- 분자식
- C14H10N2O2
- 평균 분자량
- 238.24 g/mol
- 단동위원소 질량
- 238.07422757
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1,5-Diaminoanthraquinone
- IUPAC
- 1,5-diaminoanthracene-9,10-dione
- 영어명
- 1,5-Diaminoanthraquinone
- 분자식
- C14H10N2O2
- 분자량
- 238.24
이름 및 동의어
1,5-DIAMINOANTHRAQUINONE129-44-2Smoke Red F9,10-Anthracenedione, 1,5-diamino-C.I. Disperse Red II1,5-Diaminoanthrachinon1,5-Anthraquinonyldiamine1,5-Daa1,5-Diamino-9,10-anthraquinoneAnthraquinone, 1,5-diamino-NSC-7213NSC-63791
이름 더 보기
92.0%(N)smokeredfTIMTEC-BB SBB0007691,5-DIAMINOATHRAQUINONE,5-DIAMINOANTHRAQUINONE1,5-diamino-anthraquinon
3ZXX3HK358NSC-507213RefChem:417178204-947-21,5-diaminoanthracene-9,10-dione1,5-Daa [Russian]MFCD000012261,5-Diaminoanthrachinon [Czech]
데이터베이스 식별자
- CAS
129-44-2- PubChem CID
- 8513
- DTXSID
DTXSID1059602- ChEMBL
CHEMBL90387- UNII
- 3ZXX3HK358
- EC Number
- 204-947-2
- Nikkaji
- J2.267.365C、J3.625K
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 86.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 346
실험 및 물리화학적 성질
Chemical ClassesDyes -> Anthraquinone Dyes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionRed odorless powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C (lit.)
- 끓는 점
- 380.84 °C · 380.84°C (rough estimate)
- 밀도
- 1.1907 · 1.1907 (rough estimate)
- 굴절률
- 1.65 · 1.6500 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystaline
- 산도 계수 (pKa)
- -0.66 · -0.66±0.20(Predicted)
- 색상
- Orange to Brown to Dark red
- 수용성
- 물에 불용성.
- InChI
- InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
- InChIKey
- VWBVCOPVKXNMMZ-UHFFFAOYSA-N
- SMILES
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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-diamino-
Hazards SummaryA mild eye irritant; Causes liver, cardiac, and renal tubular changes in 10-day oral studies of rats; [RTECS] May cause eye irritation; [Alfa Aesar MSDS] See 1-Amino-2-methylanthraquinone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB6400000
- HS 번호
- 29147000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information9,10-Anthracenedione, 1,5-diamino-: ACTIVE
응용 분야
용도1,5-Diaminoanthraquinone (DAAQ) may be used in the preparation of vertical nanowire arrays. It may be used in the synthesis of poly(1,5-diaminoanthraquinone) (PDAA) particles, via chemically oxidative polymerization of DAAQ.
일반 설명1,5-Diaminoanthraquinone (DAAQ) is an organic dye compound. Rapid preparation of 1,5-diaminoanthraquinone nanofibers (DAAQNFs) decorated with small platinum nanoparticles (PtNPs) has been reported. The absorption and fluorescence spectra of DAAQ has been investigated in various organic solvents. Preparation of vertical organic nanowire arrays of DAAQ on solid substrates by a facile physical vapor transport method has been reported.
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