Basic information
- CAS
33549-66-5- Standard SMILES
CC1=NNC(=O)C1(Br)Br- InChIKey
QQQQLBQGDDSBCA-UHFFFAOYSA-N- Molecular formula
- C4H4Br2N2O
- Average molar mass
- 255.9 g/mol
- Monoisotopic mass
- 253.86904
Names & identifiers
- Preferred name
- 4,4-Dibromo-3-methyl-2-pyrazolin-5-one
- IUPAC
- 4,4-dibromo-3-methyl-1H-pyrazol-5-one
- English name
- 4,4-Dibromo-3-methyl-2-pyrazolin-5-one, 98+%
- Molecular formula
- C4H4Br2N2O
- Molecular weight
- 255.9
Names & synonyms
33549-66-54,4-Dibromo-3-methyl-2-pyrazolin-5-one4,4-dibromo-3-methyl-1H-pyrazol-5(4H)-one4,4-Dibromo-2,4-dihydro-5-methyl-3H-pyrazol-3-one4,4-dibromo-3-methyl-1H-pyrazol-5-oneMFCD000159424,4-Dibromo-5-methyl-2,4-dihydro-3H-pyrazol-3-oneNSC-5220423H-Pyrazol-3-one, 4,4-dibromo-2,4-dihydro-5-methyl-4,4-dibromo-3-methylpyrazol-5-oneNSC52204243KQ2A5FQ3
Show more names
4,4-Dibromo-3-methyl-2-pyrazolin-5-one, 98+%
SCHEMBL2298573DTXSID703259392,4,10-Tribromo methyl benzoateAKOS002676361SY338283DB-262696ST50547717H51835
Database identifiers
- CAS
33549-66-5- PubChem CID
- 351503
- DTXSID
DTXSID70325939- UNII
- 43KQ2A5FQ3
- EC Number
- 681-998-0
- Nikkaji
- J364.715C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 129 · 129-132°C
- Density
- 2.44 · 2.44±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Very Slightly)
- pka
- 9.27 · 9.27±0.60(Predicted)
- form
- Solid
- color
- Off-White to Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4,4-Dibromo-2,4-dihydro-5-methyl-3H-pyrazol-3-one is used in the preparation of antimoebic compounds such as thiosemicarbazide derivatives. Also used in the preparation of triazine molecules displaying antifungal activity.
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
诺坦药业（启东）有限公司13906246579 13906246579 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…