2-Chloro-6-(trifluoromethyl)quinoxaline

HCID 3547342

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 41213-32-5
Standard SMILES: FC(F)(F)c1ccc2nc(Cl)cnc2c1
InChIKey: PKOWPBJJCLWQMY-UHFFFAOYSA-N
Molecular formula: C9H4ClF3N2
Average molar mass: 232.59 g/mol
Monoisotopic mass: 232.0015103

Names & identifiers

Preferred name: 2-Chloro-6-(trifluoromethyl)quinoxaline
IUPAC: 2-chloro-6-(trifluoromethyl)quinoxaline
English name: 2-chloro-6-(trifluoromethyl)quinoxaline
Molecular formula: C9H4ClF3N2
Molecular weight: 232.59

Names & synonyms

2-chloro-6-(trifluoromethyl)quinoxaline41213-32-5DTXSID80393523RefChem:259068DTXCID30344383810-229-5MFCD056695332-chloro-6-trifluoromethylquinoxalineQuinoxaline, 2-chloro-6-(trifluoromethyl)-SCHEMBL36560072-chloro-6-trifluoromethyl-quinoxalineAKOS015994186

Show more names

2-Chloro-6-(trifluoromethyl)-1,4-benzodiazine

MS-13372-chloro-6-(trifluoromethyl)-quinoxalineSY108195F235081

Database identifiers

CAS: 41213-32-5
PubChem CID: 3547342
DTXSID: DTXSID80393523
EC Number: 810-229-5

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 234

Physicochemical properties

Melting point: 118 · 118-120 °C
Boiling point: 262 · 262.0±35.0 °C(Predicted)
Density: 1.496 · 1.496±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: claggy powder
pka: -3.11 · -3.11±0.30(Predicted)
color: Lemon/fawn
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P260-P280
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.