1,3,5-Tris(4-hydroxyphenyl)benzene

HCID 348148

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Basic information

CAS: 15797-52-1
Standard SMILES: Oc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1
InChIKey: RQTDWDATSAVLOR-UHFFFAOYSA-N
Molecular formula: C24H18O3
Average molar mass: 354.4 g/mol
Monoisotopic mass: 354.12559444

Names & identifiers

Preferred name: 1,3,5-Tris(4-hydroxyphenyl)benzene
IUPAC: 4-[3,5-bis(4-hydroxyphenyl)phenyl]phenol
English name: 1 3 5-Tris(4-hydroxyphenyl)benzene 97
Molecular formula: C24H18O3
Molecular weight: 354.4

Names & synonyms

1,3,5-Tris(4-hydroxyphenyl)benzeneDTXSID10324628RefChem:72358DTXCID90275745631-522-215797-52-11,3,5-Tri(4-hydroxyphenyl)benzene5'-(4-Hydroxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-diol4-[3,5-bis(4-hydroxyphenyl)phenyl]phenolMFCD01321328CHEMBL117286[1,1':3',1''-Terphenyl]-4,4''-diol, 5'-(4-hydroxyphenyl)-

Show more names

1 3 5-Tris(4-hydroxyphenyl)benzene 971 3 5-TRIS(4-HYDROXYPHENYL)BENZENE 97%5'-(4-Hydroxyphenyl)-[1,1:3'1"-terphenyl]-4,4"-diol[1,1':3',1''-Terphenyl]-4,4''-diol,5'-(4-hydroxyphenyl)-

NSC4072663',5'-BIS(4-HYDROXYPHENYL)-[1,1'-BIPHENYL]-4-OLSCHEMBL187833RQTDWDATSAVLOR-UHFFFAOYSA-NBDBM50131558AKOS0159162761,3,5-tri-(4-hydroxyphenyl)-benzeneNSC-407266

Database identifiers

CAS: 15797-52-1
PubChem CID: 348148
DTXSID: DTXSID10324628
ChEMBL: CHEMBL117286
EC Number: 631-522-2
Nikkaji: J1.646.238A

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 364

Physicochemical properties

Melting point: 233 · 233-240 °C(lit.)
Boiling point: 572.3 · 572.3±45.0 °C(Predicted)
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 8.82 · 8.82±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36

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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.