기본 정보
- CAS
50926-10-8- 표준 SMILES
O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12- InChIKey
UHOKSCJSTAHBSO-UHFFFAOYSA-N- 분자식
- C28H14N2O4
- 평균 분자량
- 442.4 g/mol
- 단동위원소 질량
- 442.09535693
개요
Vat blue 4 appears as blue needles with a metallic luster or fine fluffy deep blue powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- C.I. Pigment Blue 60
- IUPAC
- 2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone
- 영어명
- BLeu solanthrene
- 분자식
- C28H14N2O4
- 분자량
- 442.42176
이름 및 동의어
Indanthrone81-77-6IndanthreneVat blue 4Medium BlueIndanthren BlueIndanthrene BlueCarbanthrene Blue RSCaledon Blue RNPalanthrene Blue GPTPonsol RPPonsol Blue GZ
이름 더 보기
Celliton Blue RNLutetia Fast Blue RSVat Blue OFood Blue 4Mikethrene Blue RSN6,15-Dihydroanthrazine-5,9,14,18-tetroneIndanthrene Blue RSNNihonthrene Blue RSN
데이터베이스 식별자
- CAS
50926-10-8、81-77-6、88507-35-1- PubChem CID
- 6690
- DTXSID
DTXSID2026280- ChEMBL
CHEMBL337140- UNII
- R68OT0N83K
- EC Number
- 201-375-5、841-154-6、841-155-1
- Nikkaji
- J5.511E
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 857
실험 및 물리화학적 성질
Chemical ClassesDyes -> Anthraquinone Dyes
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
CosmeticsCosmetic colorant
Color/Form
BLUE POWDER
BLUE NEEDLES
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
PRACTICALLY INSOL IN ORGANIC SOLVENTS
SOL IN CONCENTRATED SULFURIC ACID, IN DILUTE ALKALI SOLN
INSOL IN WATER, ALCOHOL, ETHER, ACETONE, & BENZENE
SOL IN ANILINE (GREEN-BLUE)
Melting Point878 to 932 °F (decomposes) (NTP, 1992)
Physical Description
Vat blue 4 appears as blue needles with a metallic luster or fine fluffy deep blue powder. (NTP, 1992)
Liquid; Dry Powder; CBI
Blue solid; [Merck Index]
Stability/Shelf Life
INDANTHRENE BLUE R, USUAL COMMERCIAL GRADE, IS EXTREMELY STABLE TO LIGHT & HEAT, BUT SENSITIVE TO CHLORINE
EXCELLENT DURABILITY & LIGHT-FASTNESS, NOT DECOMPOSED BY HEATING TO 250 °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 73.1% (201 of 275) of all reports.
H412 (13.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 275 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Not Classified
유해성 정보
Regulatory Information
Chemical: 5,9,14,18-Anthrazinetetrone, 6,15-dihydro-
5,9,14,18-Anthrazinetetrone, 6,15-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5,9,14,18-Anthrazinetetrone, 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: 6,15-dihydroanthrazine-5,9,14,18-tetrone (EC: 201-375-5)
5,9,14,18-Anthrazinetetrone, 6,15-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Hazards SummaryAnthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and coma; Deaths have been reported after children ingested Rhamnus berries; [HSDB] May cause irritation; [MSDSonline]
Reactive GroupAmines, Phosphines, and Pyridines
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
화학 및 산업
용도 및 제조
Uses
Used to dye unmordanted cotton and as pigment in quality paints and enamels; Indanthrene Blues used in automotive paints, plastics, rubber, and printing inks; [HSDB]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
DYEING UNMORDANTED COTTON; PIGMENT IN QUALITY PAINTS & ENAMELS
Plastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesPigment
Industry UsesPigment
Methods of Manufacturing
FIERZ-DAVID, BLANGEY, GRUNDLEGENDE OPERATIONEN DER FARBENCHEMIE (VIENNA, 5TH ED, 1943) PP 304-305; THIELERT, BAUMAN, US PATENT 2,693,469 (1954 TO BAYER); SUTTER, FIORONI, US PATENT 2,831,860 (1958 TO CIBA); KASTNER, US PATENT 3,138,612 (1964 TO ALLIED CHEM).
Use Classification
Food Additives -> COLOUR -> JECFA Functional Classes
Food Additives -> COLOUR -> JECFA Functional Classes
Food Additives -> COLOUR -> JECFA Functional Classes
Plastics -> Pigments agents
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Cosmetics -> Cosmetic colorant
General Manufacturing Information
Paint and Coating Manufacturing
5,9,14,18-Anthrazinetetrone, 6,15-dihydro-: ACTIVE
VAT DYE DISCOVERED BY RENE BOHN (1901).
MOLECULE CONSISTS OF TWO ANTHRAQUINONE NUCLEI LINKED THROUGH TWO NH GROUPS. PREPN: BY FUSION OF BETA-AMINOANTHRAQUINONE WITH CAUSTIC POTASH IN PRESENCE OF POTASSIUM NITRATE.
AUTOMOTIVE PAINTS, PLASTICS, RUBBER, PRINTING INKS. MEETS ANSI Z 66.1 SPECIFICATIONS /INDANTHRENE BLUES/
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