4,7-Dimethyl-1,10-phenanthroline
Basic information
- CAS
308134-34-1- Standard SMILES
Cc1ccnc2c1ccc1c(C)ccnc12- InChIKey
JIVLDFFWTQYGSR-UHFFFAOYSA-N- Molecular formula
- C14H12N2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.10004839
Names & identifiers
- Preferred name
- 4,7-Dimethyl-1,10-phenanthroline
- IUPAC
- 4,7-dimethyl-1,10-phenanthroline
- English name
- 4,7-Dimethyl-1,10-phenanthroline
- Molecular formula
- C14H12N2
- Molecular weight
- 208.26
Names & synonyms
4,7-Dimethyl-1,10-phenanthroline3248-05-31,10-Phenanthroline, 4,7-dimethyl-4,7-Dimethyl-o-phenanthroline4,7-DIMETHYL-[1,10]PHENANTHROLINENSC-4281UNII-P3YJ54Z8ZODTXSID9062932NSC 4281EINECS 221-827-54,7-Dimethyl-(1,10)phenanthrolineRefChem:96735
Show more names
4,7-DimethylTIMTEC-BB SBB0087164,7-dimethyl-10-phenanthroline4,7-Dimethyl-1,1-phenanthroline1,8-Dimethyl-4,5-diazaphenanthrene4,7-Dimethyl-1,10-phenanthroline >4,7-DIMETHYL-1,10-PHENANTHROLINE ANHYDROUS
4,7DimethylophenanthrolineDTXCID80385161,10Phenanthroline, 4,7dimethyl221-827-5621-776-2308134-34-1JIVLDFFWTQYGSR-UHFFFAOYSA-NMFCD00004979
Database identifiers
- CAS
308134-34-1、3248-05-3- PubChem CID
- 72792
- DTXSID
DTXSID9062932- ChEMBL
CHEMBL593442- UNII
- P3YJ54Z8ZO
- EC Number
- 221-827-5、621-776-2
- Nikkaji
- J208.322A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 193 · 193-195 °C(lit.)
- Boiling point
- 338.63 °C · 338.63°C (rough estimate)
- Density
- 1.1202 · 1.1202 (rough estimate)
- refractive index
- 1.6152 · 1.6152 (estimate)
- Flash point
- 177 °C · 177.00°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 6.01 · 6.01±0.10(Predicted)
- color
- White to Gray to Brown
- Water Solubility
- Soluble in benzene and alcohol. Slightly soluble in water.
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, 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 1,7-Phenanthroline.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Phenanthroline, 4,7-dimethyl-: ACTIVE
Applications
Uses4,7-Dimethyl-1,10-phenanthroline acts as an intermediate in synthetic chemistry and dyestuff field. It is also used as an organic bidentate ligand and form complexes with metal for detection. Further, it plays an important role in colorimetric sensors, coordination polymer, ionochromism and luminescence.
Suppliers
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Related reactions
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Compound notes
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