Basic information
- CAS
92-43-3- Standard SMILES
O=C1CCN(c2ccccc2)N1- InChIKey
CMCWWLVWPDLCRM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931294
Overview
photographic developer; RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Phenidone
- IUPAC
- 1-phenylpyrazolidin-3-one
- English name
- Phenidone
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
Phenidone92-43-31-PHENYL-3-PYRAZOLIDINONE1-Phenyl-3-pyrazolidone3-Pyrazolidinone, 1-phenyl-DTXSID1049433H0U5612P6KNSC-30306DTXCID0029393RefChem:172692202-155-11-phenylpyrazolidin-3-one
Show more names
PHENIDONE AOprea1phenitone4072-30-4STK084358graphidone
FenidonPyrazolidinone, 1-phenyl-1-Phenyl-3-oxopyrazolidine2-Pyrazolin-3-ol, 1-phenyl-MFCD000030941-P-3-P1-Phenyl-pyrazolidin-3-one1-Phenylpyrazolid-3-one
Database identifiers
- CAS
92-43-3- PubChem CID
- 7090
- DTXSID
DTXSID1049433- ChEMBL
CHEMBL7660- UNII
- H0U5612P6K
- EC Number
- 202-155-1
- Nikkaji
- J38.160H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyrazoles
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.0000163 [mmHg]
Physical DescriptionSolid; [Merck Index] White powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 119 · 119-121 °C(lit.)
- Boiling point
- 288.88 °C · 288.88°C (rough estimate)
- Density
- 1.1436 · 1.1436 (rough estimate)
- vapor pressure
- 0.002 Pa · 0.002Pa at 25℃
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- form
- White to off-white solid.
- pka
- 9.5 · 9.50±0.30(Predicted)
- color
- White to Light yellow to Light orange
- Water Solubility
- SOLUBLE IN HOT WATER
- Merck
- 14 · 14,7309
- BRN
- 131856 · 131856
- Stability
- Stable, but light sensitive. Incompatible with strong acids, strong oxidizing agents, strong bases.
- InChI
- 1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
- InChIKey
- CMCWWLVWPDLCRM-UHFFFAOYSA-N
- SMILES
- O=C1CCN(N1)c2ccccc2
- LogP
- 0.119 at · 0.119 at 25℃
- CAS DataBase Reference
- 92 · 92-43-3(CAS DataBase Reference)
- EWG's Food Scores
- 4 · 4-5
- FDA UNII
- 0 U5612P6K · H0U5612P6K
- NIST Chemistry Reference
- 1 · 1-Phenyl-3-pyrazolidinone(92-43-3)
- EPA Substance Registry System
- 3 · 3-Pyrazolidinone, 1-phenyl- (92-43-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P391-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-51/53
- Safety Statements
- 61 · 61
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 8750000 · UQ8750000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29331990 · 29331990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 200 mg/kg KODAK* -,-,71
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Warning
H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 3-Pyrazolidinone, 1-phenyl-
Status: Active Update: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17573
3-Pyrazolidinone, 1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryPhenidone is one of the photographic chemicals in the supplemental patch testing tray sold by Chemotechnique. [Marks, Appendix] An irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 4-Hydroxymethyl-4-methyl-1-phenyl-3-pyrazolidinone.
Hazard Classes and Categories
Acute Tox. 4 (98.4%)
Acute toxicity - category 4
Acute Tox. 4 *
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UQ8750000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29331990
- Toxicity
- LD50 orl-rat: 200 mg/kg KODAK* -,-,71
- risk_code
- 22-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 61
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H411
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Uses & manufacturing
Uses
Used as a non-staining, high-contrast photographic developer; [Merck Index] Used in photography (developer); [www.ci.tucson.az.us/arthazards/medium.html]
Photographic Processing [Category: Other]
General Manufacturing Information3-Pyrazolidinone, 1-phenyl-: ACTIVE
Applications
DescriptionPhenidone is a moderately active developing agent that exhibits a synergistic effect when combined with other developing agents. The developing behavior of phenidone indicates that, in most cases, it has no induction period and produces a rapid development curve. A developer containing phenidone and hydroquinone (PQ-type developer) is now the predominant type of developer used for X-ray films and provides excellent development performance.
UsesPhenidone is used as black and white photographic developer.
UsesPhenidone inhibits both the LO (lipoxygenase) and Cox (cyclooxygenase) pathways, the synthesis of Fos-related antigen protein, and is described as an anti-inflammatory and anti-oxidant compound. Phenidone has been shown to block neurotoxicity induced by kainate, and weakens oxidative stress induced by lipopolysaccharide.
Upstream & downstream products
Upstream raw materials
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Related reactions
8 records
Compound notes
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