Basic information
- CAS
951-06-4- Standard SMILES
COc1cc2ncccc2c2cccnc12- InChIKey
MATJLKZMEUUKEN-UHFFFAOYSA-N- Molecular formula
- C13H10N2O
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.07931295
Names & identifiers
- Preferred name
- 5-Methoxy-4,7-phenanthroline
- IUPAC
- 5-methoxy-4,7-phenanthroline
- English name
- 5-Methoxy-4,7-phenanthroline
- Molecular formula
- C13H10N2O
- Molecular weight
- 210.23
Names & synonyms
5-methoxy-4,7-phenanthroline951-06-4DTXSID90301290RefChem:303811DTXCID80252424894-692-9NSC142220SCHEMBL9271551MATJLKZMEUUKEN-UHFFFAOYSA-NNSC-142220DB-296238CS-0257024
Show more names
4,7-Phenanthroline, 5-methoxy-
EN300-658574Z2050118569
Database identifiers
- CAS
951-06-4- PubChem CID
- 285359
- DTXSID
DTXSID90301290- EC Number
- 894-692-9
- Nikkaji
- J880.822H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 200 · 200-201 °C(Press: 0.1 Torr)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 4.67 · 4.67±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
3 records
Compound notes
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