기본 정보
- 표준 SMILES
Nc1cccc2c1C(=O)c1cccc(N)c1C2=O- InChIKey
VWBVCOPVKXNMMZ-UHFFFAOYSA-N- 분자식
- C14H10N2O2
- 평균 분자량
- 238.24 g/mol
- 단동위원소 질량
- 238.07422757
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
이름 더 보기
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
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
- C1(N)=C2C(C(=O)C3=C(C2=O)C=CC=C3N)=CC=C1
- EPA
- 9 · 9,10-Anthracenedione, 1,5-diamino- (129-44-2)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
규제 정보
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
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.
상·하류 제품 정보
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하류 제품
공급사50 곳
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