Basic information
- CAS
31535-89-4- Standard SMILES
Cn1c(=O)ccc2ccc3cccnc3c21- InChIKey
IXAWJXFNSQYESB-UHFFFAOYSA-N- Molecular formula
- C13H10N2O
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.07931295
Names & identifiers
- Preferred name
- 1-Methyl-1,10-phenanthrolin-2(1H)-one
- IUPAC
- 1-methyl-1,10-phenanthrolin-2-one
- English name
- 1,10-Phenanthrolin-2(1H)-one, 1-methyl-
- Molecular formula
- C13H10N2O
- Molecular weight
- 210.23
Names & synonyms
1-METHYL-1,10-PHENANTHROLIN-2(1H)-ONE31535-89-41,10-Phenanthrolin-2(1H)-one, 1-methyl-DTXSID20393860RefChem:76187DTXCID10344720651-831-6IXAWJXFNSQYESB-UHFFFAOYSA-N1-methyl-1,10-phenanthrolin-2-oneN-methylphenanthrolone1-methyl-1,2-dihydro-1,10-phenanthrolin-2-oneSCHEMBL809908
Show more names
AKOS0243222311-Methyl-1,10-phenanthroline-2(1H)-one
Database identifiers
- CAS
31535-89-4- PubChem CID
- 3581387
- DTXSID
DTXSID20393860- EC Number
- 651-831-6
- Nikkaji
- J390.542J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 116 · 116-118 °C
- Boiling point
- 368.7 · 368.7±31.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 2.83 · 2.83±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
6 records
Compound notes
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