Acid Orange 45
Basic information
- CAS
2429-80-3- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(N)c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc56)cc4)cc3)cc2)cc1.[Na+].[Na+]- InChIKey
NJXPQVNXQNPYRT-UHFFFAOYSA-L- Molecular formula
- C35H25N5Na2O9S3
- Average molar mass
- 801.8 g/mol
- Monoisotopic mass
- 801.06097948
Names & identifiers
- Preferred name
- Acid Orange 45
- IUPAC
- disodium;3-amino-4-[[4-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
- English name
- Acid orange 45
- Molecular formula
- C35H28N5NaO9S3
- Molecular weight
- 781.8
Names & synonyms
Acid Orange 452429-80-3C.I. Acid Orange 45Polar Orange RBucacid Orange RFenafor Orange RMilling Orange RBenzyl Orange 2Rdisodium;3-amino-4-[[4-[4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonateSulfonine Orange RSulphonol Orange RBrown 5R
Show more names
brown5rCI 22195BZR AcidOrange 45polarorangerBENZYL ORANGEbenzylorange2rbucacidorangerfenafororangerkcasilkoranger
Supranol Orange RAKca Silk Orange RMidlon Orange PropylElite Fast Orange RMilling Fast Orange RMilling Fast Orange 2RAcid Leather Orange BZRBenzyl Fast Orange 2RN
Database identifiers
- CAS
2429-80-3- PubChem CID
- 17063
- DTXSID
DTXSID801023990
Properties
Computed structural properties
- Topological polar surface area
- 258 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,540
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Preparation methods
Preparation4-(4-Aminophenyl)benzenamine double nitriding, and 3-Aminonaphthalene-2,7-disulfonic acid with phenol coupling, then use 4-Methylbenzene-1-sulfonyl chloride esterification of hydroxyl phenol.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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