Basic information
- CAS
59487-23-9- Standard SMILES
COc1cc(OC)c(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(=O)Nc4ccc(C(N)=O)cc4)ccc3OC)c2O)cc1Cl- InChIKey
DZYFEMTUCDZMSP-UHFFFAOYSA-N- Molecular formula
- C34H28ClN5O7
- Average molar mass
- 654.1 g/mol
- Monoisotopic mass
- 653.1677259
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, 4-((5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
- IUPAC
- 4-[[5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
- English name
- 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
- Molecular formula
- C34H28ClN5O7
- Molecular weight
- 654.07
Names & synonyms
4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide2-Naphthalenecarboxamide, 4-((5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-(2-(5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)diazenyl)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-4-((5-(((4-(Aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-[2-[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-RefChem:4764522-Naphthalenecarboxamide, 4-5-4-(aminocarbonyl)phenylaminocarbonyl-2-methoxyphenylazo-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,110
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 803.3 · 803.3±65.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- solubility
- 22.1 μg/L · 22.1μg/L in organic solvents at 20 ℃
- pka
- 10.13 · 10.13±0.70(Predicted)
- Water Solubility
- 8.9 μg/L · 8.9μg/L at 23℃
- LogP
- 0.4 at · 0.4 at 23℃
- Indirect Additives used in Food Contact Substances
- 187 · C.I. PIGMENT RED 187
- FDA 21 CFR
- 178.3297 · 178.3297
- EPA Substance Registry System
- 187 · C.I. Pigment Red 187 (59487-23-9)
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 59.3% (16 of 27) of all reports.
Warning
H335 (40.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 27 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (EC: 261-785-5)
2-Naphthalenecarboxamide, 4-5-4-(aminocarbonyl)phenylaminocarbonyl-2-methoxyphenylazo-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: Human health tier I assessment
Hazard Classes and CategoriesSTOT SE 3 (40.7%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxamide, 4-[2-[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: ACTIVE
Applications
UsesC.I. Pigment red 187 is a multifunctional dye. Dyes are important tools in biological experiments. They can help researchers observe and analyze cell structures, track biomolecules, evaluate cell functions, distinguish cell types, detect biomolecules, study tissue pathology and monitor microorganisms. Their applications range from basic scientific research to clinical A wide range of diagnostics. Dyes are also widely used in traditional fields such as textile dyeing, as well as in emerging fields such as functional textile processing, food pigments and dye-sensitized solar cells.
Suppliers4 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉裕清嘉衡药业有限公司027-83855310 13476018176 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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