CAS 217-68-5 Dibenzo(f,h)quinoxaline (HCID 252644)

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Basic information

CAS: 217-68-5
Standard SMILES: c1ccc2c(c1)c1ccccc1c1nccnc21
InChIKey: KBBSSGXNXGXONI-UHFFFAOYSA-N
Molecular formula: C16H10N2
Average molar mass: 230.26 g/mol
Monoisotopic mass: 230.08439832

Names & identifiers

Preferred name: Dibenzo(f,h)quinoxaline
IUPAC: phenanthro[9,10-b]pyrazine
English name: Dibenzo(a,h)quinoxaline
Molecular formula: C16H10N2
Molecular weight: 230.26

Names & synonyms

Dibenzo[f,h]quinoxaline217-68-51,4-Diazatriphenylenephenanthro[9,10-b]pyrazineDibenzo(f,h)quinoxalineEKI8XZ525WNSC-74769UNII-EKI8XZ525WDTXSID30176085PHENANTHRO(9,10-B)PYRAZINE5,6:7,8-DIBENZOQUINOXALINENSC 74769

Show more names

1,4-diazatriphenylene Dibenzo(f,h)quinoxaline

RefChem:132830DTXCID8098576MFCD00114919NSC74769DIBENZO(F H)QUINOXALINEDibenzochinoxalindibenzo-[f,h]quinoxaline{Dibenzo[f,h]quinoxaline}

Database identifiers

CAS: 217-68-5
PubChem CID: 252644
DTXSID: DTXSID30176085
UNII: EKI8XZ525W
EC Number: 633-661-4
Nikkaji: J79.510K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 273

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency

Physicochemical properties

Melting point: 180 ℃ · 180℃
Boiling point: 454.4 · 454.4±18.0 °C(Predicted)
Density: 1.291 · 1.291±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Sealed in dry,Room Temperature
pka: 0.59 · 0.59±0.30(Predicted)
Appearance: Light brown to brown Solid
FDA UNII: 8 XZ525W · EKI8XZ525W
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P