5-Methyl-1,10-phenanthroline
Basic information
- CAS
3002-78-6- Standard SMILES
Cc1cc2cccnc2c2ncccc12- InChIKey
UJAQYOZROIFQHO-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439832
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 5-Methyl-1,10-phenanthroline
- IUPAC
- 5-methyl-1,10-phenanthroline
- English name
- 5-Methyl-1,10-phenanthroline
- Molecular formula
- C13H10N2
- Molecular weight
- 194.23
Names & synonyms
5-Methyl-1,10-phenanthroline3002-78-61,10-Phenanthroline, 5-methyl-DTXSID4062771RefChem:536779DTXCID0038120221-099-95-MethylphenanthrolineMFCD00004982CHEMBL98682NSC4272SCHEMBL371564
Show more names
RMA-4265-methyl-10-phenanthroline5-Methyl-1,1-phenanthroline5-Methyl-1,10-phenanthroline 98%5-Methyl-1,10-phenanthrolin-2-ol5-METHYL-1,10-PHENANTHROLINE, 99+%5-Methyl-1,10-phenanthroline Hydrate
UJAQYOZROIFQHO-UHFFFAOYSA-5-methylpyridino[3,2-h]quinolineSMSSF-0625532NSC-4272BDBM50401345AKOS015899630AMS_CNC_ID-110962535CS-W004552
Database identifiers
- CAS
3002-78-6- PubChem CID
- 72791
- DTXSID
DTXSID4062771- ChEMBL
CHEMBL98682- EC Number
- 221-099-9
- Nikkaji
- J150.535A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionOff-white or pale yellow powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 113 · 113-114 °C (lit.)
- Boiling point
- 320.68 °C · 320.68°C (rough estimate)
- Density
- 1.1579 · 1.1579 (rough estimate)
- refractive index
- 1.5014 · 1.5014 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 50 mg/mL, · methanol: soluble50mg/mL, clear to slightly hazy, colorless to yellow
- form
- powder to crystal
- pka
- 4.89 · 4.89±0.10(Predicted)
- color
- White to Light yellow to Light orange
- Sensitive
- Hygroscopic
- BRN
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, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 36/37/39-26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H315-H319-H335-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Phenanthroline, 5-methyl-: INACTIVE
Applications
Uses5-Methyl-1,10-phenanthroline was used in the determination of Cu(II) in duralmin alloy by capillary zone electrophoresis.
General Description5-Methyl-1,10-phenanthroline forms iron(II)-phenanthroline complexes and their gas-phase stabilities has been investigated in an electrospray ionization mass spectrometer.
Related reactions
66 records
Compound notes
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