Basic Blue 5
Basic information
- CAS
3943-82-6- Standard SMILES
CCN=C1C=CC(=C(c2ccc(NCC)c(C)c2)c2ccccc2Cl)C=C1C.Cl- InChIKey
MDOWYKFAQVNQJR-UHFFFAOYSA-N- Molecular formula
- C25H27ClN2.ClH
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 426.1629543
Names & identifiers
- Preferred name
- Basic Blue 5
- IUPAC
- 4-[(2-chlorophenyl)-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-N-ethyl-2-methylaniline;hydrochloride
- English name
- SETOCYANINE
- Molecular formula
- C25H27ClN2.ClH
- Molecular weight
- 427.41
Names & synonyms
3943-82-6Basic Blue 5DTXSID00632384-((2-Chlorophenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)-N-ethyl-o-toluidine monohydrochlorideRefChem:561078DTXCID1039632SetocyanineBrilliant Glacier Blueorb1695222SCHEMBL4336822SCHEMBL5460239SCHEMBL29637845
Show more names
CI 42140NSC57698NSC 57698NSC-57698SETOPALINE CRHODULINEBLUE5BBasic blue 5 (C.I. 42140)C.I.Basic Blue 5:C.I.42140
SCHEMBL30477071MDOWYKFAQVNQJR-XKTQITCVSA-NNS00048693
Database identifiers
- CAS
3943-82-6- PubChem CID
- 107481
- DTXSID
DTXSID0063238- EC Number
- 223-528-5
Properties
Computed structural properties
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- FDA UNII
- 95 HRG33 · CBB95HRG33
- EPA Substance Registry System
- Setocyanine (3943-82-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
Regulatory InformationChemical: Benzenamine, 4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-2-methyl-, monohydrochloride
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-2-methyl-, hydrochloride (1:1): ACTIVE
Preparation methods
Preparation2-Chlorobenzaldehyde and N-cyclohexylnaphthalen-1-amine(2 Moore) condensation, and then will product oxidation.
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Related reactions
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Compound notes
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