기본 정보
- 표준 SMILES
O=C1c2ccccc2C2=Nc3cccc4cccc(c34)N12- InChIKey
XFYQEBBUVNLYBR-UHFFFAOYSA-N- 분자식
- C18H10N2O
- 평균 분자량
- 270.3 g/mol
- 단동위원소 질량
- 270.07931294
이름 및 식별자
- 우선 이름
- Solvent Orange 60
- IUPAC
- 2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaen-3-one
- 영어명
- SOLVENT ORANGE 60
- 분자식
- C18H10N2O
- 분자량
- 270.2848
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
61725-13-1、61969-47-9、6925-69-5- PubChem CID
- 81344
- DTXSID
DTXSID4064507- UNII
- 9P2ZLV19F4
- EC Number
- 230-049-5、612-336-0、612-926-8
- Nikkaji
- J265.965D
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 499
물리화학적 성질
- InChI
- InChI=1S/C18H10N2O/c21-18-13-8-2-1-7-12(13)17-19-14-9-3-5-11-6-4-10-15(16(11)14)20(17)18/h1-10H
- InChIKey
- XFYQEBBUVNLYBR-UHFFFAOYSA-N
- SMILES
- O=C1C2=C([H])C([H])=C([H])C([H])=C2C2=NC3=C([H])C([H])=C([H])C4C([H])=C([H])C([H])=C(C3=4)N21
화학적 성질
yellow orange. Orange powder. Insoluble in water, slightly soluble in ethanol, Chloroform, benzene, toluene, xylene and organic solvent.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 98% (2229 of 2274) of all reports.
Not Classified
Aggregated GHS information provided per 2274 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 12H-Phthaloperin-12-one
REACH registered substance: 12H-phthaloperin-12-one (EC: 230-049-5)
12H-Phthaloperin-12-one: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- 기존화학 물질
- KE-08574
화학 및 산업
용도 및 제조
응용 분야
용도Solvent Orange (SO) 60 is a perinone-type dye that is often used in plastic materials such as spectacle frames and has been shown to cause contact allergy. Mainly used for polystyrene, ABS resin coloring.
제조 방법
A preparation method for solvent orange 60, belonging to chemical industry field, manufactured by: mixing phthalic anhydride and 1, 8- naphthylenediamine with the mass ratio of 1:1 with 1-5% by mass of hydrochloric acid solution, polar organic solvent miscible with water and non-ionic active catalyst, stirring and heating to the refluxing state for reacting 8-15 hours, filtering, washing the filter cake with water till the pH value of the filtrate is neutral, drying to obtain the solvent orange 60, wherein the dosage of the hydrochloric acid solution is 10-20 times of the 1, 8- naphthylenediamine; the dosage of the polar organic solvent is 1-50% of the total amount of the reaction medium and the dosage of the catalyst is 0.01-2% of the total amount of the reaction medium. The method combines the advantages of good quality and low cost of water phase method.
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