CAS 448-59-9 Tris(4-fluorophenyl)boroxine (HCID 2769359)

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Basic information

CAS: 448-59-9
Standard SMILES: Fc1ccc(B2OB(c3ccc(F)cc3)OB(c3ccc(F)cc3)O2)cc1
InChIKey: AHYNJLHYJZXUSD-UHFFFAOYSA-N
Molecular formula: C18H12B3F3O3
Average molar mass: 365.7 g/mol
Monoisotopic mass: 366.1017692

Names & identifiers

Preferred name: Tris(4-fluorophenyl)boroxine
IUPAC: 2,4,6-tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinane
English name: 2,4,6-Tris(4-fluorophenyl)boroxin
Molecular formula: C18H12B3F3O3
Molecular weight: 365.71

Names & synonyms

Tris(4-fluorophenyl)boroxineRefChem:900252671-250-1448-59-92,4,6-Tris(4-fluorophenyl)boroxin2,4,6-tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinanetris(4-fluorophenyl)boroxin4-Fluorophenylboronic AnhydrideMFCD02093496tris(4-fluorophenyl)-1,3,5,2,4,6-trioxatriborinane4-Fluorophenylboronic acid anhydride2,4,6-tris(4-fluorophenyl)boroxine

Show more names

Boroxin, tris(4-fluorophenyl)-4-Fluorobenzeneboronic anhydridep-Fluorophenyl boronic acid anhydride4-Fluorophenylboronic Anhydride Tris(4-fluorophenyl)cyclotriboroxane

C18H12B3F3O3AKOS015853542AS-70131CS-0175156A826685SCHEMBL3734871DTXSID60377689Tris(4-fluorophenyl)cyclotriboroxane

Database identifiers

CAS: 448-59-9
PubChem CID: 2769359
DTXSID: DTXSID60377689
EC Number

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 389

Physicochemical properties

Melting point: 261 · 261-263 °C
Boiling point: 361.4 · 361.4±52.0 °C(Predicted)
Density: 1.26 · 1.26±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2931900090 · 2931900090

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

Safety data

hs_code: 2931900090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362