5-methoxy-1,3-dimethyl-1H-pyrazole
Basic information
- CAS
53091-80-8- Standard SMILES
COc1cc(C)nn1C- InChIKey
QGVNQBGVRVIBMA-UHFFFAOYSA-N- Molecular formula
- C6H10N2O
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.07931295
Names & identifiers
- Preferred name
- 5-methoxy-1,3-dimethyl-1H-pyrazole
- IUPAC
- 5-methoxy-1,3-dimethylpyrazole
- English name
- 5-Methoxy-1,3-dimethyl-1H-pyrazole
- Molecular formula
- C6H10N2O
- Molecular weight
- 126.16
Names & synonyms
5-methoxy-1,3-dimethyl-1H-pyrazoleRefChem:536565824-628-753091-80-81H-Pyrazole, 5-methoxy-1,3-dimethyl-5-methoxy-1,3-dimethylpyrazoleMFCD189704531,3-dimethyl-5-methoxypyrazoleSCHEMBL4676478SCHEMBL91970485-methoxy-1,3-dimethyl-pyrazoleDTXSID80342359
Show more names
DCA09180AKOS033560078SY156207DB-296209CS-02335961,3-Dimethyl-1H-pyrazol-5-yl methyl ether #EN300-134799H42538
Database identifiers
- CAS
53091-80-8- PubChem CID
- 581065
- DTXSID
DTXSID80342359- EC Number
- 824-628-7
- Nikkaji
- J114.186D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Boiling point
- 199.5 · 199.5±20.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, Inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Oil
- pka
- 3.33 · 3.33±0.10(Predicted)
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses5-methoxy-1,3-dimethyl-1H-pyrazole (cas# 53091-80-8) is used as an active ingredient in making herbicides that control 90% of several weeds.
Related reactions
2 records
Compound notes
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