2-(Trifluoromethyl)imidazo[1,2-a]pyrazine

HCID 3231306

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Basic information

CAS: 109113-96-4
Standard SMILES: FC(F)(F)c1cn2ccncc2n1
InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N
Molecular formula: C7H4F3N3
Average molar mass: 187.12 g/mol
Monoisotopic mass: 187.03573179

Names & identifiers

Preferred name: 2-(Trifluoromethyl)imidazo[1,2-a]pyrazine
IUPAC: 2-(trifluoromethyl)imidazo[1,2-a]pyrazine
English name: 2-(Trifluoromethyl)imidazol[1,2-a]pyrazine
Molecular formula: C7H4F3N3
Molecular weight: 187.12

Names & synonyms

2-(trifluoromethyl)imidazo[1,2-a]pyrazine109113-96-4DTXSID103905002-(trifluoromethyl)imidazo(1,2-a)pyrazineRefChem:254919DTXCID20341361823-734-02-(TRIFLUOROMETHYL)-IMIDAZO[1,2-A]PYRAZINEMFCD052488782-(TRIFLUOROMETHYL)IMIDAZOL[1,2-A]PYRAZINESCHEMBL108852CS-B1219

Show more names

Imidazo[1,2-a]pyrazine, 2-(trifluoromethyl)-

AKOS005255618AB216872-Trifluoromethyl-imidazo[1,2-a]pyrazineAS-42755DB-0139432-(trifluoromethyl)imidazo[1,2-alpha]pyrazineEN300-2265662-(trifluoromethyl) imidazol [1,2-a] pyrazine

Database identifiers

CAS: 109113-96-4
PubChem CID: 3231306
DTXSID: DTXSID10390500
EC Number: 823-734-0

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 194

Physicochemical properties

Density: 1.52 · 1.52
pka: 0.09 · 0.09±0.30(Predicted)
form: solid
InChI: 1S/C7H4F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h1-4H
InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N
SMILES: FC(F)(F)c1nc2[n](c1)ccnc2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H317
Precautionary statements: 280 · P280-P301+P310
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralSkin · Acute Tox. 3 OralSkin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Safety data

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933998090
risk_code: 43
Signal word: Danger
Symbol(GHS): GHS06
safety_code: 36/37
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H317
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
Precautionary statements: P280-P301+P310