1,4-디아미노안트라퀴논
Disperse Violet 1
기본 정보
- CAS
128-95-0- 표준 SMILES
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
FBMQNRKSAWNXBT-UHFFFAOYSA-N- 분자식
- C14H10N2O2
- 평균 분자량
- 238.24 g/mol
- 단동위원소 질량
- 238.07422757
이름 및 식별자
- 우선 이름
- Disperse Violet 1
- IUPAC
- 1,4-diaminoanthracene-9,10-dione
- 현지명
- 1,4-디아미노안트라퀴논
- 영어명
- 1,4-Diamino anthraquinone
- 분자식
- C14H10N2O2
- 분자량
- 238.24
이름 및 동의어
1,4-Diaminoanthraquinone128-95-0Disperse violet 1KrisolamineAcetate Red Violet ROracet Violet 2RCibacet Violet 2R9,10-Anthracenedione, 1,4-diamino-Grasol Violet RSeacyl Violet RSetacyl Violet RDisperse Violet K
이름 더 보기
1,4-디아미노안트라퀴논분산자색1호1,4-다이아미노안트라퀴논1,4-다이아미노-9,10-안트라세네디온9,10-안트라세네디온, 1,4-다이아미노-C.I. 61100C.I. 디스퍼스 바이올렛 1C.I. 솔벤트 바이올렛 11디스퍼스 바이올렛솔벤트 바이올렛 11안트라퀴논,1,4-다이아미노-1,4-diaminoanthracene-9,10-dioneCI 611001,4-diamino-9,10-anthracenedioneNSC 7833NSC 63807oilvioletrViolet ER
C.I. Disperse Violet 1Gracet Violet 2RResiren Violet TRSetile Violet 3RAmacel heliotrope RDuranol Violet 2RNacelan Violet 4RDispersive Violet K
데이터베이스 식별자
- CAS
128-95-0、71775-54-7- PubChem CID
- 31420
- DTXSID
DTXSID2041252- ChEMBL
CHEMBL86771- UNII
- N21HDQ0TKN
- EC Number
- 204-922-6、615-398-7
- Nikkaji
- J3.264F、J710.752H
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 Classes
Dyes -> Anthraquinone Dyes
Dye
Cosmetics
Cosmetic ingredients (Disperse Violet 1) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
SpringerMaterials PropertiesBoiling point
LogP3.0
Physical DescriptionDark violet solid; [EC: SCCS (Scientific Committee on Consumer Safety), Opinion on Disperse Violet 1, 22 June 2010] Black powder; [Alfa Aesar MSDS]
Collision Cross Section147.5 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041252]
물리화학적 성질
- 녹는점
- 265 · 265-269 °C(lit.)
- 끓는 점
- 380.84 °C · 380.84°C (rough estimate)
- 밀도
- 1.44 g/cm3 · 1.44 g/cm3 (20℃)
- 증기압
- 1 hPa · <1 hPa (25 °C)
- 굴절률
- 1.65 · 1.6500 (estimate)
- 인화점
- 340 °C · 340 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 21.4% (31 of 145) of reports.
Danger
H301 (62.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,4-diamino-
9,10-Anthracenedione, 1,4-diamino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
In a patch test study of 104 human female volunteers, 1 to 3 subjects exhibited skin sensitization; Another study of 98 human female volunteers produced 1 subject with a possible sensitization reaction; Causes mild eye irritation in experimental animals at a concentration of 1% in water; A skin sensitizer in a local lymph node assay of mice; No evidence of photo-allergy in a study of guinea pigs; No adverse effects observed in 13-week feeding study of rats at 500 ppm in the diet; Diffuse midzonal/centrilobular liver hypertrophy and increased cholesterol levels observed in males at 20 mg/kg/day in 90-day oral study of rats; [EC: Scientific Committee on Consumer Safety, Opinion on Disperse Violet 1, 22 June 2010] An eye irritant; Risk of irreversible adverse health effects; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (62.8%)
독성 정보
화학 및 산업
용도 및 제조
Uses
CIR ingredient: Disperse Violet 1
Used as a hair dye; [EC: Scientific Committee on Consumer Safety, Opinion on Disperse Violet 1, 22 June 2010]
Dressing Hair [Category: Other]
Household ProductsInformation on 8 consumer products that contain C.I. Disperse violet 1 in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information9,10-Anthracenedione, 1,4-diamino-: ACTIVE
응용 분야
용도As an anthraquinone derivative, 1,4-Diamino anthraquinone is a potent and selective protein kinase CK1 delta inhibitor. Studies suggest that it has potential solar cell applications. 1,4-Diamino anthraquinone can be used in studies as a potential competitive non-peptidic inhibitor of HIV-1 proteinase.
상·하류 제품 정보
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