Basic information
- CAS
6448-95-9- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12- InChIKey
XYZMEPHFXJHGIX-UHFFFAOYSA-N- Molecular formula
- C24H18N4O4
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.13280507
Overview
See also: Pigment Red 22 (annotation moved to).
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl-
- IUPAC
- 3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide
- English name
- Pigment Red 22
- Molecular formula
- C24H18N4O4
- Molecular weight
- 426.42
Names & synonyms
3-Hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalene-2-carboxamide2-Naphthalenecarboxamide, 3-hydroxy-4-((2-methyl-5-nitrophenyl)azo)-N-phenyl-3-Hydroxy-4-((2-methyl-5-nitrophenyl)azo)-N-phenylnaphthalene-2-carboxamide2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl-RefChem:4764112-Naphthalenecarboxamide, 3-hydroxy-4-(2-methyl-5-nitrophenyl)azo-N-phenyl-6448-95-9BRILLIANTFATSCARLET81W2C75HEQ3-Hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamideMFCD00071989Pigment Red 22 (Technical Grade)
Show more names
AKA404Fast Red NC.I. 12315Scarlet BGPIGMENT RED 22Solvent Green 5BC.I.PIGMENTRED223117 Fast Scarlet NFast Brilliant Red NBRILLIANT FAT SCARLET
3-hydroxy-4-((2-methyl-5-nitrophenyl)diazenyl)-N-phenyl-2-naphthamide2-Naphthalenecarboxamide, 3-hydroxy-4-(2-(2-methyl-5-nitrophenyl)diazenyl)-N-phenyl-UNII-81W2C75HEQ3-Hydroxy-4-((5-nitro-o-tolyl)azo)-2-naphthanilide2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl- (9CI); C.I. Pigment Red 22 (7CI,8CI); 3-Hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-N-phenyl-2-naphthalenecarboxamide; 3117 Bright Red; Accosperse Naphthol Scarlet; Alkali ReEINECS 229-245-3EC 229-245-3orb1690384
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 690
Experimental & physicochemical properties
Collision Cross Section207.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1052329]
Physicochemical properties
- Boiling point
- 622.6 · 622.6±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- form
- Powder
- pka
- 10.65 · 10.65±0.50(Predicted)
- color
- Pink to red
- LogP
- 2.18 at · 2.18 at 20℃ and pH5.3
- CAS DataBase Reference
- 6448 · 6448-95-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 81 W2C75HEQ · 81W2C75HEQ
- EPA Substance Registry System
- 22 · C.I. Pigment Red 22 (6448-95-9)
- Symbol(GHS)
- 8 · GHS08
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 94.7% (54 of 57) of all reports.
Not Classified
Aggregated GHS information provided per 57 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenyl-
REACH registered substance: 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalene-2-carboxamide (EC: 229-245-3)
2-Naphthalenecarboxamide, 3-hydroxy-4-(2-methyl-5-nitrophenyl)azo-N-phenyl-: 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 - Monoazo pigments that may release carcinogenic amines: Human health tier II assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H341-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P273-P501
Chemistry & industry
Uses & manufacturing
UsesSubstance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.1%.
Applications
UsesPigment Red 22 is used in method for increasing solubility of industrial azo pigments for NMR spectra and assignments of their NMR peaks.
Upstream & downstream products
Upstream raw materials
Suppliers33 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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