Basic information
- CAS
866775-16-8- Standard SMILES
N#Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
UZSOJPPOSGGMMB-UHFFFAOYSA-N- Molecular formula
- C7H2F3N3O2
- Average molar mass
- 217.1 g/mol
- Monoisotopic mass
- 217.0099108
Names & identifiers
- Preferred name
- 3-Nitro-5-(trifluoromethyl)picolinonitrile
- IUPAC
- 3-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
- English name
- 3-Nitro-5-trifluoromethyl-pyridine-2-carbonitrile
- Molecular formula
- C7H2F3N3O2
- Molecular weight
- 217.1
Names & synonyms
866775-16-83-NITRO-5-(TRIFLUOROMETHYL)PICOLINONITRILE3-Nitro-5-(trifluoromethyl)pyridine-2-carbonitrile5-trifluoromethyl-3-nitropyridine-2-carbonitrileMFCD147023102-cyano-3-nitro-5-(trifluoromethyl)pyridine2-Pyridinecarbonitrile, 3-nitro-5-(trifluoromethyl)-3-Nitro-5-trifluoromethyl-pyridine-2-carbonitrile3-Nitro-5-trifluoromethyl-pyridin-2-carbonitrileSCHEMBL2372763DTXSID10670192AKOS015891703
Show more names
SB16217AS-41782SY241720DB-339479CS-0169572F3319515-trifluoromethyl-3-nitropyridine-2-carbonitrile - [T25885]
Database identifiers
- CAS
866775-16-8- PubChem CID
- 45382147
- DTXSID
DTXSID10670192
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 313.3 · 313.3±42.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -6.78 · -6.78±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
16 records
Compound notes
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