3,4-Dimethyl-5-pyrazolone
Basic information
- CAS
6628-22-4- Standard SMILES
CC1=NNC(=O)C1C- InChIKey
PRCIXKQBKWRGMA-UHFFFAOYSA-N- Molecular formula
- C5H8N2O
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.06366288
Names & identifiers
- Preferred name
- 3,4-Dimethyl-5-pyrazolone
- IUPAC
- 3,4-dimethyl-1,4-dihydropyrazol-5-one
- English name
- 3,4-Dimethyl-4,5-dihydro-1H-pyrazol-5-one
- Molecular formula
- C5H8N2O
- Molecular weight
- 112.13
Names & synonyms
6628-22-43,4-Dimethyl-5-pyrazoloneEINECS 229-608-62,4-Dihydro-4,5-dimethyl-3H-pyrazol-3-oneDTXSID501271100NSC 60554RefChem:486339DTXCID501701696229-608-63,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one3,4-dimethyl-1,4-dihydropyrazol-5-one3,4-Dimethyl-2-pyrazolin-5-one
Show more names
3,4-DIMETHYLPYRAZOLIN-5-ONE3,4-Dimethyl-Δ2-pyrazol-5-one4,5-Dimethyl-3H-pyrazol-3-one3,4-dimethyl-1H-pyrazol-5(4H)-one4,5-Dimethyl-1,2-dihydro-pyrazol-3-one
4,5-Dimethyl-2,4-dihydro-3H-pyrazol-3-oneMFCD000855563,4-Dimethyl-5-pyrazolinoneNSC605542-Pyrazolin-5-one, 3,4-dimethyl-3H-Pyrazol-3-one, 2,4-dihydro-4,5-dimethyl-SCHEMBL369909SCHEMBL993138
Database identifiers
- CAS
6628-22-4- PubChem CID
- 97947
- DTXSID
DTXSID501271100- EC Number
- 229-608-6
- Nikkaji
- J110.446B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 269 · 269-2710C
- Density
- 1.25 · 1.25
- storage temp.
- Refrigerator
- solubility
- DMSO, Methanol
- form
- Solid
- color
- Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
- HS Code
- 2933119000 · 2933119000
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
- hs_code
- 2933119000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
Uses3,4-Dimethyl-5-pyrazolone (cas# 6628-22-4) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
Loading…