4-Methyl-1,10-phenanthroline
Basic information
- CAS
31301-28-7- Standard SMILES
Cc1ccnc2c1ccc1cccnc12- InChIKey
NAZZKEZTSOOCSZ-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439833
Names & identifiers
- Preferred name
- 4-Methyl-1,10-phenanthroline
- IUPAC
- 4-methyl-1,10-phenanthroline
- English name
- 4-Methyl-1,10-phenanthroline
- Molecular formula
- C13H10N2
- Molecular weight
- 194.23
Names & synonyms
4-Methyl-1,10-phenanthroline1,10-Phenanthroline, 4-methyl-DTXSID2067612RefChem:996841,10Phenanthroline, 4methylDTXCID0038334625-820-1NAZZKEZTSOOCSZ-UHFFFAOYSA-N31301-28-7MFCD00004978cid_93149SCHEMBL912010
Show more names
TIMTEC-BB SBB0091394-Methyl Phenanthroline4-methyl-10-phenanthroline4-Methyl-1,1-phenanthroline4-Methyl-1,10-phenanthroline 98%
MLS001359987CHEMBL316589HMS3025J12BDBM504013464-Methyl-1,10-phenanthroline, 97%CS-W004551NCGC00247290-01AC-29166
Database identifiers
- CAS
31301-28-7- PubChem CID
- 93149
- DTXSID
DTXSID2067612- ChEMBL
CHEMBL316589- EC Number
- 625-820-1
- Nikkaji
- J307.830B
Properties
Computed structural properties
- XLogP
- 2.1
- 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 crystalline solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 143 · 143-145 °C(lit.)
- Boiling point
- 381.2 · 381.2±22.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Crystalline
- pka
- 5.49 · 5.49±0.10(Predicted)
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C13H10N2/c1-9-6-8-15-13-11(9)5-4-10-3-2-7-14-12(10)13/h2-8H,1H3
- InChIKey
- NAZZKEZTSOOCSZ-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C3C=2N=CC=C3)C(C)=CC=1
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.
Hazard information
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 1,7-Phenanthroline.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Phenanthroline, 4-methyl-: ACTIVE
Applications
Uses4-methyl-1,10-phenanthroline can be used to produce 1,10-Phenanthrolin-4-aldehyde.
General Description4-Methyl-1,10-phenanthroline (4-Mephen) is a methyl substituted phenanthroline commonly used as a ligand.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
51 records
Compound notes
Loading…