Basic information
- CAS
83949-70-6- Standard SMILES
Cc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.Cc1ccc(N(C)/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.O=S(=O)([O-])[O-]- InChIKey
HFTYCTPMZRLFTD-UHFFFAOYSA-L- Molecular formula
- C40H48N6O4S
- Average molar mass
- 708.9 g/mol
- Monoisotopic mass
- 708.34577521
Names & identifiers
- Preferred name
- 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium sulphate (2:1)
- IUPAC
- bis(N,4-dimethyl-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline);sulfate
Names & synonyms
EINECS 281-430-883949-70-61,3,3-Trimethyl-2-((methyl(p-tolyl)hydrazono)methyl)-3H-indolium sulphate (2:1)3H-Indolium, 1,3,3-trimethyl-2-((methyl(4-methylphenyl)hydrazono)methyl)-, sulfate (2:1)1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium sulphate (2:1)RefChem:216746281-430-8DTXSID101004145Bis{1-methyl-1-(4-methylphenyl)-2-[(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]diazen-1-ium} sulfate
Database identifiers
- CAS
83949-70-6- PubChem CID
- 44146751
- DTXSID
DTXSID101004145- EC Number
- 281-430-8
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 545
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 3H-Indolium, 1,3,3-trimethyl-2-[[methyl(4-methylphenyl)hydrazono]methyl]-, sulfate (2:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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