Basic information
- CAS
386704-06-9- Standard SMILES
N#Cc1ccc(C(F)(F)F)nc1Cl- InChIKey
CDSFASYGONAHHN-UHFFFAOYSA-N- Molecular formula
- C7H2ClF3N2
- Average molar mass
- 206.55 g/mol
- Monoisotopic mass
- 205.9858604
Overview
See also: 2-Chloro-6-(trifluoromethyl)nicotinitrile, (annotation moved to).
Names & identifiers
- Preferred name
- 2-Chloro-6-(trifluoromethyl)nicotinonitrile
- IUPAC
- 2-chloro-6-(trifluoromethyl)pyridine-3-carbonitrile
- English name
- 2-Chloro-6-(trifluoromethyl)nicotinonitrile
- Molecular formula
- C7H2ClF3N2
- Molecular weight
- 206.55
Names & synonyms
2-chloro-6-(trifluoromethyl)nicotinonitrileDTXSID80380913RefChem:1062797DTXCID10331938386704-06-92-chloro-6-(trifluoromethyl)pyridine-3-carbonitrileC7H2ClF3N2MFCD018626602-chloro-6-trifluoromethyl-nicotinonitrile2-chloro-6-trifluoromethylnicotinonitrile3-Pyridinecarbonitrile, 2-chloro-6-(trifluoromethyl)-3-Pyridinecarbonitrile,2-chloro-6-(trifluoromethyl)-
Show more names
2-Chloro-6-trifuoromethyl-nico2-Chloro-6-(trifluoromethyl)nicothloro-6-(trifluoromethyl)nicotinonitrile2-chloro-6-(trifluoromethyl)-3-pyridinecarbonitrile2-Chloro-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-Chloro-3-cyano-6-(trifluoromethyl)pyridine
2-chloro-6-trifluoromethyl-3-pyridinecarbonitrileSCHEMBL2130348SCHEMBL31042250SBB065289AKOS005063896CS-W008691PS-67022-chloro-6-(trifluoromethyl)nicotinitrile
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 37 · 37~38℃
- Boiling point
- 74 · 74~76℃/1mb
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -6.61 · -6.61±0.10(Predicted)
- form
- fused solid
- color
- Clear, pale lemon/white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
安徽合诺生物科技有限公司0555-2761852
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
34 records
Compound notes
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