Basic information
- CAS
3374-30-9- Standard SMILES
CCN(Cc1ccccc1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3ccccc3)C=C2)c2cc(O)c(S(=O)(=O)O)cc2S(=O)(=O)O)cc1- InChIKey
HKTCVYHTGCMMTJ-UHFFFAOYSA-O- Molecular formula
- C37H37N2O7S2+
- Average molar mass
- 685.8 g/mol
- Monoisotopic mass
- 685.20421887
Overview
RN refers to calcium hydroxide inner salt
Names & identifiers
- Preferred name
- Acid Blue 5
- IUPAC
- benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(5-hydroxy-2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
- English name
- dihydrogen bis[(benzyl)[4-[[4-(benzylethylamino)phenyl](5-hydroxy-2,4-disulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)ammonium], calcium salt
- Molecular formula
- 2C37H35N2O7S2.Ca
- Molecular weight
- 1407.72
Names & synonyms
3374-30-9acid blue 5DTXSID90863161RefChem:555981DTXCID90811824222-161-8Alphazurine AC.I. Acid Blue 5Amacid Blue AVondacid Blue ACarmine Blue AMerantine Blue A
Show more names
AO203CI 42052:1RS RMA04444C.I. 42052 (Ca salt)
Patent Blue CAVulcol Blue VZDisulphine Blue AMitsui Acid Pure Blue AXAcid Leather Blue AAcidal Carmine Blue ADisulphine Lake Blue AD&C Blue No. 8
Database identifiers
- CAS
3374-30-9- PubChem CID
- 407404
- DTXSID
DTXSID90863161- EC Number
- 222-161-8
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 1
- Complexity
- 1,340
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 5 · C.I. Acid Blue 5 (3374-30-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl(phenylmethyl)amino]phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-, hydroxide, inner salt, calcium salt (2:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl(phenylmethyl)amino]phenyl](5-hydroxy-2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-, inner salt, calcium salt (2:1): INACTIVE
Preparation methods
Preparation3-Hydroxybenzaldehyde(1 Moore) and N-benzyl-N-ethylbenzenamine (2 Moore) condensation, its product two stlfonation, oxidation, and finally as calcium salting out.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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