Basic information
- CAS
6448-96-0- Standard SMILES
COc1ccc(C(=O)Nc2ccccc2)cc1N=Nc1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12- InChIKey
GLZGTQYOWXFUNZ-UHFFFAOYSA-N- Molecular formula
- C31H23N5O6
- Average molar mass
- 561.5 g/mol
- Monoisotopic mass
- 561.16483347
Names & identifiers
- Preferred name
- 4-((5-(anilino)carbonyl-2-methoxyphenyl)azo)-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
- IUPAC
- 3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
- English name
- Pigment Red 31
- Molecular formula
- C31H23N5O6
- Molecular weight
- 561.54
Names & synonyms
4-((5-(Anilino)carbonyl-2-methoxyphenyl)azo)-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide2-Naphthalenecarboxamide, 3-hydroxy-4-((2-methoxy-5-((phenylamino)carbonyl)phenyl)azo)-N-(3-nitrophenyl)-2-Naphthalenecarboxamide, 3-hydroxy-4-(2-(2-methoxy-5-((phenylamino)carbonyl)phenyl)diazenyl)-N-(3-nitrophenyl)-2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-N-(3-nitrophenyl)-2-Naphthalenecarboxamide, 3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-N-(3-nitrophenyl)-4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamideRefChem:509596229-246-96448-96-03-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide3-Hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-N-(3-nitrophenyl)naphthalene-2-carboxamideorb2565500
Show more names
Red VioletC.I. 12360C.I.P.R.31Pigment Red 31
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 968
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 703.3 · 703.3±60.0 °C(Predicted)
- Density
- 1.37 · 1.37
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 11.1 · 11.10±0.70(Predicted)
- Water Solubility
- 7.22 ng/L · 7.22ng/L at 25℃
- LogP
- 7.89 · 7.89
- CAS DataBase Reference
- 6448 · 6448-96-0(CAS DataBase Reference)
- EPA Substance Registry System
- 31 · C.I. Pigment Red 31 (6448-96-0)
- 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 100% (70 of 70) of all reports.
Not Classified
Aggregated GHS information provided per 70 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-N-(3-nitrophenyl)-
REACH registered substance: 4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide (EC: 229-246-9)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxamide, 3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-N-(3-nitrophenyl)-: ACTIVE
Applications
UsesPigment Red 31 (CAS# 6448-96-0) is an organic azo dye used as a colourant and pigment in a variety of applications, such as in inkjet printer ink. Pigment Red 31 interacts with Laponite RD to form a hydrophobic fluorescent organic pigment, a useful analytical reagent.
Upstream & downstream products
Upstream raw materials
Suppliers21 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
上海将来实业股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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