Basic information
- CAS
100537-30-2- Standard SMILES
c1ccc(Oc2nncc3ccccc23)cc1- InChIKey
CSHSXUZQMJVDJY-UHFFFAOYSA-N- Molecular formula
- C14H10N2O
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.07931295
Names & identifiers
- Preferred name
- Phthalazine, 1-phenoxy-
- IUPAC
- 1-phenoxyphthalazine
- English name
- 1-PHENOXYPHTHALAZINE
- Molecular formula
- C14H10N2O
- Molecular weight
- 222.24
Names & synonyms
100537-30-2Phthalazine, 1-phenoxy-DTXSID30143373RefChem:1095557DTXCID40658641-PhenoxyphthalazineD-21151C95GBF8GK4BRN 01696141-Phenoxy-phthalazineUNII-C95GBF8GK44-23-00-02603 (Beilstein Handbook Reference)
Show more names
1-phenoxy-phthalazin
SCHEMBL8809522CSHSXUZQMJVDJY-UHFFFAOYSA-NAKOS025394053FP26894AC-907/34110025D 21151
Database identifiers
- CAS
100537-30-2- PubChem CID
- 613554
- DTXSID
DTXSID30143373- UNII
- C95GBF8GK4
- Nikkaji
- J1.411.437H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 107 · 107-108°C
- Boiling point
- 435.6 · 435.6±18.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Dichloromethane, Ethanol, Methanol
- pka
- 3.44 · 3.44±0.10(Predicted)
- form
- Solid
- color
- Brown
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 95 GBF8GK4 · C95GBF8GK4
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-Phenoxyphthalazine (cas# 100537-30-2) is a compound useful in organic synthesis. It is an intermediate in the synthesis of 1-Aminophthalazine (A627660)
Suppliers4 total
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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