Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Solvent Violet 13
Blue 6R · disperse blue 72 · C.I.Disperse Blue 72:C.I.60725 · DISPERSE BLUE 72 ISO 9001：2015 REACH · Disperse Blue 72 Crude for Sublimation Ink · 1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-anthraquinone
식별자 및 물리적 특성
| CAS No. | 12217-81-1 |
|---|---|
| 분자식 | C21H15NO3 |
| 평균 분자량 | 329.3 g/mol |
| 단동위원소 질량 | 329.10519334 g/mol |
| SMILES | Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 |
| InChIKey | LJFWQNJLLOFIJK-UHFFFAOYSA-N |
| PubChem CID | 6680 |
| ChEMBL | CHEMBL3181893 |
| EC No. | 201-353-5 |
| DTXSID | DTXSID1026293 |
화학 및 물리적 성질
| XLogP | 5.5 |
|---|---|
| 극성 표면적 | 66.4 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 25 |
| 형식 전하 | 0 |
| 복잡도 | 525 |
| 물질 분류 | Dyes -> Anthraquinone Dyes |
| 화장품 | Hair dyeingCosmetic colorant |
| 향료 | Fragrance Ingredient (9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]-) -> IFRA transparency List |
| LogP(분배 계수) | 3.12 |
| 식품 첨가물 | Drugs, Cosmetics, Devices -> FDA Regulatory Status of Color Additives |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | Wet SolidViolet odorless powder[MSDSonline] |
| Collision Cross Section | 174.0 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID1026293] |
| InChI | InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3 |
| InChIKey | LJFWQNJLLOFIJK-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(NC2=CC=C(C)C=C2)C=C1 |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 86.3% (2348 of 2720) of all reports.WarningH317 (13.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2720 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports. |
|---|---|
| 규제 정보 | Chemical: 9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]-9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)REACH registered substance: 1-hydroxy-4-(p-toluidino)anthraquinone (EC: 201-353-5)1-Hydroxy-4-(p-toluidino)anthraquinone: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Anthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and comaDeaths have been reported after children ingested Rhamnus berries[HSDB] May cause irritation[MSDSonline] |
| FDA 요건 | D & C VIOLET NUMBER 2 IS PERMANENTLY LISTED UNDER FEDERAL FOOD, DRUG, & COSMETIC ACT FOR USE IN EXTERNALLY APPLIED DRUGS & COSMETICS. |
| Hazard Classes and Categories | Skin Sens. 1 (13.6%)Not Classified |
| 소화 절차 | WATER, FOAM, CARBON DIOXIDE, WATER SPRAY OR MIST, DRY CHEMICAL... |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Human Toxicity Excerpts | CAUTION: LOW SYSTEMIC TOXICITY, BUT MAY CAUSE SKIN IRRITATION, SENSITIZATION. /ANTHRAQUINONE/ |
제조 및 합성 방법
제조 방법
1,4-Dihydroxyanthracene-9,10-dione or anthracene-1,4,9,10-tetraol or 1-Bromo-4-hydroxyanthraquinone or 1-Chloro-4-hydroxyanthracene-9,10-dione and to a aniline heating.