3,4,7,8-Tetramethyl-1,10-phenanthroline
Basic information
- CAS
1660-93-1- Standard SMILES
Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C- InChIKey
NPAXPTHCUCUHPT-UHFFFAOYSA-N- Molecular formula
- C16H16N2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.13134852
Names & identifiers
- Preferred name
- 3,4,7,8-Tetramethyl-1,10-phenanthroline
- IUPAC
- 3,4,7,8-tetramethyl-1,10-phenanthroline
- English name
- 3,4,7,8-Tetramethyl-1,10-phenanthroline
- Molecular formula
- C16H16N2
- Molecular weight
- 236.31
Names & synonyms
3,4,7,8-Tetramethyl-1,10-phenanthroline1660-93-11,10-Phenanthroline, 3,4,7,8-tetramethyl-DTXSID2061856TM-1,10-PRefChem:90964DTXCID4035330216-762-43,4,7,8-TetramethylphenanthrolineMFCD000049743,4,7,8-Me4PhenanCHEMBL99384
Show more names
3,4,7,8-tmphenTIMTEC-BB SBB0089453,4,7,8-TetramethyL3,4,7,8-tetramethyl-1,10-filoline3,4,7,8-tetramethyl-10-phenanthroline3, 47.8-tetramethyl-1, 10-philoxoline3,4,7,8-Tetramethyl-1,1-phenanthroline3,4,7,8-TetraMethyl -1,10-phenathroline3,4,7,8-Tetramethyl-1,10-phenaanthroline
3,4,7,8-tetramethyl-1,10-phenanthrolin3,4,7,8-tetramethyl-1,10-phenantroline3,4,7,8-tetramethylphenantrolineAC17143,4,7,8-Tetramethyl-1,10-diazap3,4,7,8-Tetramethyl-o-phenanthrolinAS-15524SY004672
Database identifiers
- CAS
1660-93-1- PubChem CID
- 74265
- DTXSID
DTXSID2061856- ChEMBL
CHEMBL99384- EC Number
- 216-762-4
- Nikkaji
- J151.257I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 277 · 277-280 °C(lit.)
- Boiling point
- 368.78 °C · 368.78°C (rough estimate)
- Density
- 1.0937 · 1.0937 (rough estimate)
- refractive index
- 1.5635 · 1.5635 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 1 · Soluble in 1,4-dioxane, acetone, dichloromethane, N,N-dimethylformamide, N,N-dimethylacetamide, methanol and hot toluene.
- pka
- 6.37 · 6.37±0.10(Predicted)
- form
- Fine Crystalline Powder
- color
- Light beige
- Water Solubility
- 1.512 mg/L · 1.512mg/L(25.04 ºC)
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933990099
- risk_code
- 36/37/38-20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26-36-22-24/25
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Phenanthroline, 3,4,7,8-tetramethyl-: ACTIVE
Applications
Description3,4,7,8-Tetramethyl-1,10-phenanthroline is used as a metal-chelating agent. For instance, it is used in the synthesis of heteroleptic cationic Ir(III) complex: 3,4,7,8-tetramethyl-1,10-phenanthroline-bis[2-(2’,4’-difluorophenyl)pyridine]iridium(III) hexafluorophosphate. It is used as a ligand to form dinuclear Cu(II) hypocrelin B complexes. It also forms tetraaqua(3,4,7,8-tetramethyl-1,10-phenanthroline-kappa2N,N′)zinc(II) thiosulfate complex with zinc.
Uses3,4,7,8-Tetramethyl-1,10-phenanthroline is a metal-chelating agent.
Related reactions
772 records
Compound notes
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