기본 정보
- 표준 SMILES
O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13- InChIKey
UGCDBQWJXSAYIL-UHFFFAOYSA-N- 분자식
- C28H12Cl2N2O4
- 평균 분자량
- 511.3 g/mol
- 단동위원소 질량
- 510.01741222
이름 및 식별자
- 우선 이름
- Vat Blue 6
- IUPAC
- 15,30-dichloro-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(30),3,6,8,10,13,15,18,21,23,25,28-dodecaene-5,12,20,27-tetrone
- 현지명
- 청색204호
- 영어명
- Vat Blue 6
- 분자식
- C28H12Cl2N2O4
- 분자량
- 511.31
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
130-20-1、39456-82-1、57284-96-5- PubChem CID
- 8532
- DTXSID
DTXSID9044532- ChEMBL
CHEMBL2001164- UNII
- UBL2KQB85Q
- EC Number
- 204-980-2、814-884-8、841-177-1
- Nikkaji
- J92.774K
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 926
실험 및 물리화학적 성질
Food Additives
Drugs, Devices -> FDA Regulatory Status of Color Additives
Devices -> FDA Regulatory Status of Color Additives
Physical Description
Dry Powder
Solid; [MSDSonline]
물리화학적 성질
- 끓는 점
- 788.5 · 788.5±60.0 °C(Predicted)
- 밀도
- 1.4366 · 1.4366 (rough estimate)
- 굴절률
- 1.746 · 1.7460 (estimate)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- -4.66 · -4.66±0.20(Predicted)
- 화장품 원료 기능
- 색소
- LogP
- 9 at · 9 at 20℃
- NIST
- 6 · c.i. Vat blue 6(130-20-1)
- EPA
- 6 · C.I. Vat Blue 6 (130-20-1)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (34 of 34) of all reports.
Not Classified
Aggregated GHS information provided per 34 reports by companies from 1 notifications to the ECHA C&L Inventory.
Not Classified
Not Classified
유해성 정보
Regulatory Information
Chemical: 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-
5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro- 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: 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone (EC: 204-980-2)
5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-: 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.
Hazard Classes and Categories
Not Classified
Not Classified
Not Classified
독성 정보
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-08789
- 유해 물질 데이터
- 130-20-1(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as dye for textiles, automotive paints, plastics, rubber, printing inks, and pigments; [HSDB]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
AUTOMOTIVE PAINTS, PLASTICS, RUBBER, PRINTING INK, PIGMENTS /INDANTHRENE BLUES/
DYE FOR TEXTILES- VISCOSE & SILK
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) 2.23X10+8 GRAMS (PRINCPL CUSTMS DISTS)
(1975) 5.30X10+6 G(8.3%)-PRINCPL CUSTMS DISTS
U.S. Production
2023: 10,912 lb
(1972) 1.32X10+9 GRAMS (8.3% ACTIVE)
(1975) PROBABLY GREATER THAN 2.27X10+6 G(8.3%)
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
5,9,14,18-Anthrazinetetrone, 7,16-dichloro-6,15-dihydro-: ACTIVE
CLASS OF DYES THAT CAN BE EASILY REDUCED, IE, VATTED, TO SOL & USUALLY COLORLESS LEUCO FORM IN WHICH THEY CAN READILY IMPREGNATE FIBERS. SUBSEQUENT OXIDATION THEN PRODUCES INSOL COLORED DYESTUFF IN FORM THAT IS REMARKABLY FAST TO WASHING, LIGHT & CHEMICALS. EXAMPLES ARE...INDANTHRENE BLUE BFP... /VAT DYE/
REDUCING AGENTS ARE USUALLY ALKALINE SOLN OF SODIUM HYDROSULFITE (NA2S2O4) OR SOME DERIVATIVE OF LATTER. OXIDATION IS BY AIR, PERBORATE, DICHROMATE, ETC. /VAT DYE/
CI 69825, 3,3'-DICHLOROINDANTHRENE...MAY BE USED IN PACKAGINGS PLACED IN CONTACT WITH FOOD PRODUCTS. /FROM TABLE/
응용 분야
용도C.I.Var Blue 6 (CAS# 130-20-1) is a vat dye used for cotton fabrics dyeing. Materials dyed with C.I.Var Blue 6 have enhanced adsorption of metals and nanoparticles, useful for the preparation of materials for wastewater cleanup.
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