Basic information
- CAS
4378-61-4- Standard SMILES
O=c1c2cc(Br)c3cccc4c(=O)c5cc(Br)c6cccc1c6c5-c2c34- InChIKey
HTENFZMEHKCNMD-UHFFFAOYSA-N- Molecular formula
- C22H8Br2O2
- Average molar mass
- 464.1 g/mol
- Monoisotopic mass
- 461.8891
Names & identifiers
- Preferred name
- Pigment Red 168
- IUPAC
- 9,18-dibromohexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione
- English name
- Vat Orange 3
- Molecular formula
- C22H8Br2O2
- Molecular weight
- 464.11
Names & synonyms
4378-61-44,10-DibromoanthanthroneBrilliant Orange RKC.I. Vat Orange 3Helio Brilliant Orange RKLionogen Red GDMonolite Red 2YLake Fast Red GIndazin Scarlet GLBrilliant Orange KKhHostaperm Scarlet GOSumitone Fast Red G
Show more names
pigment red 168C.I. 59300Orange RKScarlet GOVat Orange 3Vat 0range 3C.I.VATORANGE3
Helanthrene Orange RKMonolite Fast Red YSHelio Fast Scarlet EBHelio Fast Scarlet EGLCromophtal Scarlet A 2GIndanthrene Brilliant Orange RKVat Brilliant Orange KKhTinon Brilliant Orange RK
Database identifiers
- CAS
4378-61-4- PubChem CID
- 78084
- DTXSID
DTXSID8044674- UNII
- VAG817W276
- EC Number
- 224-481-3
- Nikkaji
- J8.712B
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 689.9 · 689.9±55.0 °C(Predicted)
- Density
- 1.97 · 1.970
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- color
- Red to Very Dark Red
- Henry's Law Constant
- 5.8 · 5.8×106 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C22H8Br2O2/c23-15-7-14-19-17-9(15)3-1-5-11(17)21(25)13-8-16(24)10-4-2-6-12(22(14)26)18(10)20(13)19/h1-8H
- InChIKey
- HTENFZMEHKCNMD-UHFFFAOYSA-N
- SMILES
- C1=C2C3=C4C5=C(C=C(Br)C6C5=C(C=CC=6)C(=O)C4=CC(Br)=C3C=C1)C2=O
- LogP
- 1.06 at · 1.06 at 24℃ and pH7
- FDA UNII
- 817 W276 · VAG817W276
- EPA Substance Registry System
- -6 · Dibenzo[def,mno]chrysene-6,12-dione, 4,10-dibromo- (4378-61-4)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99.6% (231 of 232) of all reports.
Not Classified
Aggregated GHS information provided per 232 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Dibenzo[def,mno]chrysene-6,12-dione, 4,10-dibromo-
Dibenzo[def,mno]chrysene-6,12-dione, 4,10-dibromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dibenzo[def,mno]chrysene-6,12-dione, 4,10-dibromo- 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: 4,10-dibromodibenzo[def,mno]chrysene-6,12-dione (EC: 224-481-3)
Dibenzo[def,mno]chrysene-6,12-dione, 4,10-dibromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2021: 36,947 lb
General Manufacturing InformationDibenzo[def,mno]chrysene-6,12-dione, 4,10-dibromo-: ACTIVE
Applications
UsesVat Orange 3 is used for dyeing cotton and printing cotton fabrics, as well as for dyeing linen, viscose, and silk. It has good leveling properties and moderate affinity. It is also used in the manufacture of organic pigments.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
2 records
Compound notes
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