Basic information
- CAS
72102-84-2- Standard SMILES
Cc1cc2[nH]c(=O)[nH]c2cc1N=NC1C(=O)NC(=O)NC1=O- InChIKey
RITYHZCLJGBCAJ-UHFFFAOYSA-N- Molecular formula
- C12H10N6O4
- Average molar mass
- 302.25 g/mol
- Monoisotopic mass
- 302.07635282
Names & identifiers
- Preferred name
- 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid
- IUPAC
- 5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]-1,3-diazinane-2,4,6-trione
- English name
- Pigment Orange 64
- Molecular formula
- C12H10N6O4
- Molecular weight
- 302.25
Names & synonyms
5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acidDTXSID60725025-((2,3-Dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo)barbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo)-2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]-RefChem:528510DTXCID70472232,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo-72102-84-2RSE7HB753B5-[(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)diazenyl]-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)diazenyl)-
Show more names
C.I. 12760C.I.P.O.64P-orange 64Pigment Orange 64RITYHZCLJGBCAJ-ISLYRVAYSA-NPigment orange 64 (C.I. 12760)5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barb...5-(6-Methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-ylazo)hexahydropyrimidine-2,4,6-trione
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 556
Experimental & physicochemical properties
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder; Liquid; Dry Powder; CBI
Physicochemical properties
- Density
- 1.92 · 1.92
- pka
- 0.59 · 0.59±0.20(Predicted)
- Indirect Additives used in Food Contact Substances
- 5 · 5-((2,3-DIHYDRO-6-METHYL-2-OXO-1H-BENZIMIDAZOL-5-YL)AZO)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
- FDA 21 CFR
- 178.3297 · 178.3297
- FDA UNII
- 7 HB753B · RSE7HB753B
- EPA Substance Registry System
- 2 · 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]- (72102-84-2)
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 100% (258 of 258) of all reports.
Not Classified
Aggregated GHS information provided per 258 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]-
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)diazenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)diazenyl]- 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: 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid (EC: 276-344-2)
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo-: 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.
Other Safety InformationIMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesSolvent
Industry UsesSolvent
Use Classification
Plastics -> Pigments agents
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
General Manufacturing Information
Printing Ink Manufacturing
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)diazenyl]-: ACTIVE
Applications
UsesPigment orange 64 is a pyrazolone dye commonly used in industry.
Suppliers27 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…