Basic information
- CAS
90778-25-9- Standard SMILES
Nc1cc(C(F)(F)F)c[nH]c1=O- InChIKey
UKJVAYOQXPDMHO-UHFFFAOYSA-N- Molecular formula
- C6H5F3N2O
- Average molar mass
- 178.11 g/mol
- Monoisotopic mass
- 178.03539744
Names & identifiers
- Preferred name
- 3-Amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
- IUPAC
- 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one
- English name
- 3-Amino-2-hydroxy-5-trifluoromethylpyridine
- Molecular formula
- C6H5F3N2O
- Molecular weight
- 178.11
Names & synonyms
3-amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-oneRefChem:497347816-995-790778-25-93-Amino-5-(trifluoromethyl)pyridin-2-ol3-amino-5-(trifluoromethyl)pyridin-2(1H)-one3-Amino-2-hydroxy-5-(trifluoromethyl)pyridine3-Amino-2-hydroxy-5-trifluoromethylpyridine3-amino-5-(trifluoromethyl)-1H-pyridin-2-oneMFCD073753842(1H)-Pyridinone, 3-amino-5-(trifluoromethyl)-3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
Show more names
5-amino-3-(trifluoromethyl)pyridin-2-o3-amino-5-(trifluoromethyl)-2(1H)-Pyridinone3-Amino-2-hydroxy-5-trifluoromethylpyridine ISO 9001：2015 REACH
3-amino-5-(trifluoromethyl)hydropyridin-2-one5-(Trifluoromethyl)-3-amino-2-hydroxypyridineSCHEMBL574325SCHEMBL1027863DTXSID00368036HMS1726H19CS-B1373MFCD01238132
Database identifiers
- CAS
90778-25-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 256.7 · 256.7±40.0 °C(Predicted)
- Density
- 1.457 · 1.457±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 11.39 · 11.39±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers59 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Related reactions
24 records
Compound notes
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