4-(4-Methoxyphenyl)-1-(2H)-phthalazinone
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Basic information
- CAS
57353-93-2- Standard SMILES
COc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1- InChIKey
RYLLTTFNKPGBNO-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-1-(2H)-phthalazinone
- IUPAC
- 4-(4-methoxyphenyl)-2H-phthalazin-1-one
- English name
- 4-(4-Methoxyphenyl)-1-(2H)-phthalazinon&
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
57353-93-24-(4-Methoxyphenyl)-1-(2H)-phthalazinoneRefChem:514317625-337-64-(4-methoxyphenyl)-1,2-dihydrophthalazin-1-one4-(4-methoxyphenyl)phthalazin-1(2h)-one4-(4-methoxyphenyl)-2H-phthalazin-1-oneMFCD02660689SCHEMBL710318SCHEMBL30719652RYLLTTFNKPGBNO-UHFFFAOYSA-NHCA35393
Show more names
4-(4-Methoxyphenyl)-1-(2H)-phthalazinon&1(2H)-Phthalazinone, 4-(4-methoxyphenyl)-JR-8714, 4-(4-Methoxyphenyl)-1-(2H)-phthalazinone, 97%
BBL035681STL301460AKOS005201830AKOS022117890CCG-2916984-(4-methoxyphenyl)-2H-phthalazin-1-on4-(4-methoxyphenyl)-1(2H)-phthalazinoneCS-0261553
Database identifiers
- CAS
57353-93-2- PubChem CID
- 689103
- EC Number
- 625-337-6
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 240 · 240-244 °C (lit.)
- InChI
- 1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(18)17-16-14/h2-9H,1H3,(H,17,18)
- InChIKey
- RYLLTTFNKPGBNO-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)C2=NNC(=O)c3ccccc23
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-(4-Methoxyphenyl)-1-(2H)-phthalazinone may be used in the preparation of [4-(4-methoxyphenyl)-1(2H)-oxo-phthalazin-2-yl]acetic acid ethyl ester, with potent antibacterial activity.
General Description4-(4-Methoxyphenyl)-1-(2H)-phthalazinone , a 4-aryl-2(1H)-phthalazinone derivative, is a building block for preparing bioactive molecules.
Related reactions
3 records
Compound notes
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