Basic information
- CAS
1481-02-3- Standard SMILES
CN1N=C(C(F)(F)F)CC1=O- InChIKey
SYHYFYSGUQRNRS-UHFFFAOYSA-N- Molecular formula
- C5H5F3N2O
- Average molar mass
- 166.1 g/mol
- Monoisotopic mass
- 166.03539744
Names & identifiers
- Preferred name
- 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one
- IUPAC
- 2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one
- English name
- 1-Methyl-3-trifluoromethyl-2-pyrazolin-5-one
- Molecular formula
- C5H5F3N2O
- Molecular weight
- 166.1
Names & synonyms
1481-02-31-Methyl-3-trifluoromethyl-2-pyrazolin-5-oneDTXSID70333791RefChem:434266DTXCID80284881671-953-32-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5(4H)-oneMFCD000516542-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one1-Methyl-3-(trifluoromethyl)-2-pyrazolin-5-one2,4-Dihydro-2-methyl-5-(trifluoromethyl)-3H-pyrazol-3-one
Show more names
BUTTPARK 24\09-48METHYL-3-TRIFLUOROMETHYL-2-PYRAZOLIN-5-ONE3-trifluoromethyl-1-methyl-1H-5-Pyrazolone1-Methyl-3-trifluormethyl-2-pyrazolin-5-one1-Methyl-3-(trifluoromethyl)-2-pyrazolin-5-one97%1-Methyl-3-(trifluoromethyl)-2-pyrazolin-5-one 97%
3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-(trifluoromethyl)-MLS000696220SCHEMBL1009003CHEMBL1429911HMS1661E14HMS2628P23SBB025955STK352883
Database identifiers
- CAS
1481-02-3- PubChem CID
- 518566
- DTXSID
DTXSID70333791- ChEMBL
CHEMBL1429911- EC Number
- 671-953-3
- Nikkaji
- J3.120.473I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 101.6 · 101.6±50.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.58 · 0.58±0.50(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 5811070 · 5811070
- CAS DataBase Reference
- 1481 · 1481-02-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P312-P305+P351+P338-P362-P403+P233-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- Hazard Note
- Irritant
- HS Code
- 2933119000 · 2933119000
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 29 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933119000
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 45
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P312-P305+P351+P338-P362-P403+P233-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers23 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
杭州东帆化学有限公司86-0571-85151182
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
3 records
Compound notes
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