2-Methyl-1,2,3,4-tetrahydrophthalazine-1,4-dione
Basic information
- CAS
18393-54-9- Standard SMILES
Cn1[nH]c(=O)c2ccccc2c1=O- InChIKey
RDVYNYHUUGFVQN-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 2-Methyl-1,2,3,4-tetrahydrophthalazine-1,4-dione
- IUPAC
- 3-methyl-2H-phthalazine-1,4-dione
- English name
- 2-methyl-2,3-dihydro-1,4-phthalazinedione
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
2-methyl-1,2,3,4-tetrahydrophthalazine-1,4-dioneRefChem:474747831-722-118393-54-92-Methyl-2,3-dihydrophthalazine-1,4-dione4-hydroxy-2-methylphthalazin-1(2H)-one3-methyl-2H-phthalazine-1,4-dioneMFCD032311012-methyl-2,3-dihydro-1,4-phthalazinedione1,4-Phthalazinedione, 2,3-dihydro-2-methyl-NSC235820Maybridge1_007040
Show more names
MLS000089936SCHEMBL1101962SCHEMBL1333571SCHEMBL4141656CHEMBL1371775SCHEMBL31091767HMS561H22DTXSID00311022
Database identifiers
- CAS
18393-54-9- PubChem CID
- 314939
- DTXSID
DTXSID00311022- ChEMBL
CHEMBL1371775- EC Number
- 831-722-1
- Nikkaji
- J3.050.167E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 238 °C · 238 °C
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 10.98 · 10.98±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…