Tris-biphenyl triazine - CAS 31274-51-8
Catalog:
BB044284
Product Name:
Tris-biphenyl triazine
CAS:
31274-51-8
Synonyms:
2,4,6-tri([1,1'-biphenyl]-4-yl)-1,3,5-triazine; 1,3,5-Triazine, 2,4,6-tris[1,1'-biphenyl]-4-yl-
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BB044284
1 g
$239
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IUPAC Name: 2,4,6-tris(4-phenylphenyl)-1,3,5-triazine
Description: Tris-biphenyl triazine is a cosmetic ingredient with photoprotective activity.
Molecular Weight: 537.666
Molecular Formula: C39H27N3
Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7
InChI: InChI=1S/C39H27N3/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37-40-38(35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChI Key: CENPSTJGQOQKKW-UHFFFAOYSA-N
Boiling Point: 765.9±70.0 °C at 760 mmHg
Melting Point: 282 °C
Purity: > 98.0 % (HPLC) (N)
Density: 1.2±0.1 g/cm3
Appearance: White to light yellow powder to crystal
Storage: Store under inert gas
Precautionary Statement: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Complexity: 655
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 537.220497874
Formal Charge: 0
Heavy Atom Count: 42
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 537.220497874
Rotatable Bond Count: 6
Topological Polar Surface Area: 38.7
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 9.8
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