Basic information
- CAS
100553-83-1- Standard SMILES
CC1=NN(c2ccc(F)cc2)C(=O)C1- InChIKey
VJVFAPBCFDWAEX-UHFFFAOYSA-N- Molecular formula
- C10H9FN2O
- Average molar mass
- 192.19 g/mol
- Monoisotopic mass
- 192.06989108
Overview
2-(4-Fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one is an organofluorine compound.
Names & identifiers
- Preferred name
- 1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
- IUPAC
- 2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one
- English name
- 2-(4-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazole-3-one
- Molecular formula
- C10H9FN2O
- Molecular weight
- 192.19
Names & synonyms
1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-oneRefChem:425559843-337-6100553-83-12-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one2-(4-fluorophenyl)-5-methyl-4H-pyrazol-3-one1-(4-Fluorophenyl)-3-methyl-1H-pyrazol-5(4H)-one1-(4-Fluorophenyl)-3-methyl-2-pyrazolin-5-one2-(4-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazole-3-oneMFCD01566940Maybridge1_006780SCHEMBL3529446
Show more names
1-(4-Fluorophenyl)-3-methyl-4,5-dihydropyrazole-5-one2-(4-fluorophenyl)-2,4-dihydro-5-methyl-3H-Pyrazol-3-one2-(4-fluorophenyl)-5-methyl-3,4-dihydro-2H-pyrazol-3-one3H-Pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-methyl-1-(4-Fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one - [F93368]
CHEMBL3605474HMS560M04DTXSID40351508CHEBI:194807VJVFAPBCFDWAEX-UHFFFAOYSA-NEBC-76084STK400413AKOS000116987
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 148 · 148-149℃
- Density
- 1.26 · 1.26
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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)
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
- H335-H315-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers17 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
卡斯诺化工有限公司86-13710190520 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
康迈迪森（北京）医药科技有限公司1851900025 · [email protected]
Related reactions
1 records
Compound notes
Loading…