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Basic information
- CAS
2817-73-4- Standard SMILES
CCc1cc(CC)[nH]n1- InChIKey
UFLLSVUGUWBXJA-UHFFFAOYSA-N- Molecular formula
- C7H12N2
- Average molar mass
- 124.18 g/mol
Names & identifiers
- Preferred name
- 3,5-diethyl-1H-pyrazole
- IUPAC
- 3,5-diethyl-1H-pyrazole
- English name
- 3,5-diethyl-1H-pyrazole
- Molecular formula
- C7H12N2
- Molecular weight
- 124.18
Names & synonyms
3,5-diethyl-1H-pyrazole2817-73-4RefChem:486798853-294-5MFCD238942233,5-diethylpyrazoleSCHEMBL1205841SCHEMBL2511825SCHEMBL2765991SCHEMBL28138793UFLLSVUGUWBXJA-UHFFFAOYSA-NCAA81773
Show more names
1H-Pyrazole, 3,5-diethyl-
AKOS018978860SY143375DB-339029CS-0343100EN300-106339F83712F737902Z1404540653
Database identifiers
- CAS
2817-73-4- PubChem CID
- 4306367
- EC Number
- 853-294-5
- Nikkaji
- J2.023.303F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Melting point
- 22 · 22-24 °C
- Boiling point
- 119 · 119-122 °C
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 15.12 · 15.12±0.10(Predicted)
- Appearance
- 24 °C · Colorless to off-white 24°C Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3,5-Diethyl-1H-pyrazole can be useful in the study of effect of chemical structure on the microbial nitrification inhibition and copper corrosion inhibition properties of azole compounds.
Suppliers12 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
武汉誉祥医药科技有限公司13971275651 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
4 records
Compound notes
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