3-Chloro-5-(trifluoromethyl)pyridine-2-carbonitrile

HCID 1473374

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Basic information

CAS: 80194-70-3
Standard SMILES: N#Cc1ncc(C(F)(F)F)cc1Cl
InChIKey: FUPKVFJSGNZICR-UHFFFAOYSA-N
Molecular formula: C7H2ClF3N2
Average molar mass: 206.55 g/mol
Monoisotopic mass: 205.9858604

Names & identifiers

Preferred name: 3-Chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
IUPAC: 3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
English name: 2-Cyano-3-chloro-5-(trifluoromethyl)-pyridine
Molecular formula: C7H2ClF3N2
Molecular weight: 206.55

Names & synonyms

80194-70-33-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile3-chloro-5-(trifluoromethyl)-2-pyridinecarbonitrileDTXSID10363032RefChem:500119DTXCID60314079810-198-83-Chloro-5-(trifluoromethyl)picolinonitrile2-CYANO-3-CHLORO-5-(TRIFLUOROMETHYL)-PYRIDINEMFCD006640663-Chloro-5-trifluoromethylpyridine-2-carbonitrile2-Cyano-3-chloro-5-trifluoromethylpyridine

Show more names

)-2-pyridine carbonitriL3-Chloro-5-(Trifluoromethylpicolinonitr2-Cyano-3-chloro-5-(trifluoromethyl)-pyridine ISO 9001：2015 REACH3-Chloro-2-cyano-5-(trifluoromethyl)pyridine, 3-Chloro-5-(trifluoromethyl)picolinonitrile

2-cyano-3-chloro-5-(trifluoromethyl)pyridine3-chloro-5-trifluoromethyl-pyridine-2-carbonitrile2-pyridinecarbonitrile, 3-chloro-5-(trifluoromethyl)-SCHEMBL7201363-CHLORO-2-CYANO-5-(TRIFLUOROMETHYL)PYRIDINESBB093735AKOS005069177AB06676

Database identifiers

CAS: 80194-70-3
PubChem CID: 1473374
DTXSID: DTXSID10363032
EC Number: 810-198-8
Nikkaji: J3.706.090I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 232

Physicochemical properties

Boiling point: 108 · 108-110 °C(Press: 30 Torr)
Density: 1.51 · 1.51±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: liquid
pka: -5.03 · -5.03±0.20(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

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

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2-Cyano-3-chloro-5-(trifluoromethyl)-pyridine is used in the treatment of wastewater, it is also used as a catalyst for reactions, such as the Raney reaction.