Basic information
- CAS
3002-81-1- Standard SMILES
Cc1c(C)c2cccnc2c2ncccc12- InChIKey
BRPQDJPJBCQFSR-UHFFFAOYSA-N- Molecular formula
- C14H12N2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.10004839
Names & identifiers
- Preferred name
- 5,6-Dimethyl-1,10-phenanthroline
- IUPAC
- 5,6-dimethyl-1,10-phenanthroline
- English name
- 5,6-Dimethyl-1,10-phenanthroline
- Molecular formula
- C14H12N2
- Molecular weight
- 208.26
Names & synonyms
5,6-Dimethyl-1,10-phenanthroline1,10-Phenanthroline, 5,6-dimethyl-EINECS 221-100-2DTXSID9062772BRPQDJPJBCQFSR-UHFFFAOYSA-RefChem:101200DTXCID50381211,10Phenanthroline, 5,6dimethyl221-100-2BRPQDJPJBCQFSR-UHFFFAOYSA-NInChI=1/C14H12N2/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13/h3-8H,1-2H33002-81-1
Show more names
SKL1905,6-dimethyl-10-phenanthroline5 6-DIMETHYL-1,10-PHENANTHROLINE ACS5,6-Dimethyl-1,10-phenanthroline >5,6-Dimethyl-1,10-phenanthroline 99%5,6-diMethy-1,10-phenathroline(Monohydrate)
MFCD00004983AKOS0158996595,6-Dimethyl-1,10-phenanthroline, 99%D1559MLS001359997SCHEMBL250356SCHEMBL7454037CHEMBL1571901
Database identifiers
- CAS
3002-81-1- PubChem CID
- 76357
- DTXSID
DTXSID9062772- ChEMBL
CHEMBL1571901- EC Number
- 221-100-2
- Nikkaji
- J150.534C
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
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionCream-colored solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 266 · 266-269 °C (lit.)
- Boiling point
- 397 · 397.0±37.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 5.31 · 5.31±0.10(Predicted)
- color
- White to Light yellow
- Sensitive
- Hygroscopic
- BRN
- 160918 · 160918
- InChI
- InChI=1S/C14H12N2/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13/h3-8H,1-2H3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339900
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Phenanthroline, 5,6-dimethyl-: ACTIVE
Applications
Uses5,6-Dimethyl-1,10-phenanthroline was employed as ligand in the preparation of:novel tetrahedral copper(I) mixed-ligand complexesmixed ligand Ru(II) complexes5,6-bis(bromomethyl)-1,10-phenanthroline via bromination with N-bromosuccinimide
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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