C.I. Disperse Orange 47
Basic information
- CAS
12236-03-2- Standard SMILES
CCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC.[Fe+2]- InChIKey
YZTICFPLOXKSQO-UHFFFAOYSA-L- Molecular formula
- C34H36FeN4O4
- Average molar mass
- 620.5 g/mol
- Monoisotopic mass
- 620.208591
Names & identifiers
- Preferred name
- C.I. Disperse Orange 47
- IUPAC
- 3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)
- English name
- Disperse Orange 47
- Molecular weight
- 0
Names & synonyms
12236-03-2C.I. Disperse Orange 47RefChem:572370DTXSID501061670602-617-63-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)10017-06-8Disperse Orange RDisperse Orange 47C.I.Disperse Orange 47Resolin Brilliant Orange PGDisperse Orange 47 ISO 9001：2015 REACH
Database identifiers
- CAS
12236-03-2- PubChem CID
- 444044
- EC Number
- 602-617-6
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,520
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% (23 of 23) of all reports.
Not Classified
Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
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Related reactions
0 records
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Compound notes
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