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Basic information

  • Name:
  • Bisoctrizole

  • CAS No.:
  • 103597-45-1

  • Molecular Structure:
  • Formula:
  • C41H50N6O2
  • Molecular Weight:
  • 658.88
  • Synonyms:
  • 2,2'-Methylenebis[4-(1,1,3,3-tetramethylbutyl)-6-(2H-benzotriazol-2-yl)phenol];2,2'-Methylenebis[4-(1,1,3,3-tetramethylbutyl)-6-benzotriazol-2-ylphenol];2,2'-Methylenebis[4-(1,1,3,3-tetramethylbutyl)-6-benzotriazolylphenol];2,2'-Methylenebis[6-(2-benzotriazolyl)-4-(1,1,3,3-tetramethylbutyl)phenol];2,2'-Methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol];2,2'-Methylenebis[6-(2H-benzotriazole-2-yl)-4-(1,1,3,3-tetramethylbutyl)]phenol;Bis[2-hydroxy-5-tert-octyl-3-(benzotriazol-2-yl)phenyl]methane;Phenol,2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-;Methylenebis(2-hydroxy-3-(benzotriazol-2-yl)-5-tert-octylphenyl);
  • EINECS:
  • 403-800-1
  • Density:
  • 1.16 g/cm3
  • Melting Point:
  • 197-199 °C(lit.)
  • Boiling Point:
  • 771.6 °C at 760 mmHg
  • Flash Point:
  • 420.5 °C
  • Risk Codes:
  • 36/37/38-53
  • Safety Description:
  • 26-36/37/39-61 Details

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Specification

The Bisoctrizole with CAS registry number of 103597-45-1 is also known as 2,2'-Methylenebis[4-(1,1,3,3-tetramethylbutyl)-6-(2H-benzotriazol-2-yl)phenol]. The IUPAC name is 2-(Benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol. It belongs to product categories of Phenoles and thiophenoles; Polymer Additives; Polymer Science; Stabilizers. Its EINECS registry number is 403-800-1. In addition, the formula is C41H50N6O2 and the molecular weight is 658.88. This chemical should be sealed in cool, dry place away from strong oxidants.

Physical properties about Bisoctrizole are: (1)ACD/LogP: 14.35; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.34; (4)ACD/LogD (pH 7.4): 13.98; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 198.32 cm3; (14)Molar Volume: 567.7 cm3; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 420.5 °C; (18)Enthalpy of Vaporization: 116.26 kJ/mol; (19)Boiling Point: 771.6 °C at 760 mmHg; (20)Vapour Pressure: 1.13E-24 mmHg at 25 °C.

Uses of Bisoctrizole: it is a benzotriazole-based organic compound that is added to sunscreens to absorb UV rays. This chemical is a broad-spectrum ultraviolet radiation absorber, absorbing UVB as well as UVA rays. It also reflects and scatters UV.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O
2. InChI: InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,
8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29
(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3
3. InChIKey: FQUNFJULCYSSOP-UHFFFAOYSA-N

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