Basic information
- CAS
108-34-9- Standard SMILES
CCOP(=O)(OCC)Oc1cc(C)[nH]n1- InChIKey
CDCTYRNLXFEDHC-UHFFFAOYSA-N- Molecular formula
- C8H15N2O4P
- Average molar mass
- 234.19 g/mol
- Monoisotopic mass
- 234.07694396
Names & identifiers
- Preferred name
- Pyrazoxone
- IUPAC
- diethyl (5-methyl-1H-pyrazol-3-yl) phosphate
- English name
- Pyrazoxon(content>5%)
- Molecular formula
- C8H15N2O4P
- Molecular weight
- 234.19
Names & synonyms
PyrazoxonePyrazoxonPirazoxon [Italian]Geigy G-24483PirazoxonMethylpyrazolyl diethylphosphate3-Methylpyrazolyl-5-diethylphosphateENT 24,723G-24483AI3-24723DIETHYL 3-METHYL-5-PYRAZOLYL PHOSPHATEO,O-Diethyl O-(3-methyl-5-pyrazolyl) phosphate
Show more names
ENT-24723Pyrazoxon(content>5%)DIETHYL 5-METHYL-3-PYRAZOLYL PHOSPHATEdiethyl 3-methylpyrazol-5-yl phosphatePhosphoric acid diethyl 5-methyl-1H-pyrazol-3-ylpyrazoxon diethyl 3-methylpyrazol-5-yl phosphate
Phosphoric acid, diethyl-(3-methyl-5-pyrazolyl) esterPhosphoric acid, diethyl-, 3-methylpyrazole-5-yl esterPyrazol-3(or 5)-ol, 5(or 3)-methyl-, diethyl phosphateO,O-Diethyl-O-(3-methyl-1H-pyrazol-5-yl)-fosfaat [Dutch]O,O-Dietil-O-(3-metil-1H-pirazol-5-il)-fosfato [Italian]Phosphate de diethyle et de 3-methyl-5-pyrazolyle [French]O,O-Diaethyl-O-(3-methyl-1H-pyrazol-5-yl)-phosphat [German]DTXSID30148348
Database identifiers
- CAS
108-34-9- PubChem CID
- 7925
- DTXSID
DTXSID30148348- Nikkaji
- J5.074A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 331.4 · 331.4±34.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 11.83 · 11.83±0.10(Predicted)
- EWG's Food Scores
- 1 · 1-2
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H310-H330
- Precautionary statements
- 264 · P264-P270-P262-P280-P260-P271-P284-P301+P310-P330-P302+P352-P310-P361+P364-P304+P340-P405-P403+P233-P501
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28
- Safety Statements
- 13 · 13-28-45
- Toxicity
- 50 · bird - wild,LD50,oral,40mg/kg (40mg/kg),Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
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
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute toxicity (inhalation) - category 2
Acute Tox. 1
Safety data
- Toxicity
- bird - wild,LD50,oral,40mg/kg (40mg/kg),Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 13-28-45
- Hazard statements
- H300-H310-H330
- Precautionary statements
- P264-P270-P262-P280-P260-P271-P284-P301+P310-P330-P302+P352-P310-P361+P364-P304+P340-P405-P403+P233-P501
Chemistry & industry
Suppliers1 total
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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