Bisoctrizole

CAS Number: 103597-45-1

Molecular Formula: C41H50N6O2

Purity: Bisoctrizole 97% purity

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About Bisoctrizole

3,5-Dimethylpyrazole (CAS 67-51-6) serves as a critical block in the API intermediates market, primarily utilized as a versatile ligand and building block for pharmaceutical synthesis, particularly in the development of therapeutic agents requiring precise heterocyclic frameworks. 3,5-Dimethyl-1H-pyrazole is increasing...

Synonyms

methylene bis-benzotriazolyl tetramethylphenol
Tinosorb M

Bisoctrizole Specifications

CAS Number

103597-45-1

Molecular Formula

C41H50N6O2

Molecular Weight

658.88 g/mol

IUPAC Name

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

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

InChI Key

FQUNFJULCYSSOP-UHFFFAOYSA-N

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

EINECS Number

403-800-1

MDL Number

MFCD01103222

HSN No

29339900

CAS Number

103597-45-1

Molecular Formula

C41H50N6O2

Molecular Weight

658.88 g/mol

IUPAC Name

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

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

InChI Key

FQUNFJULCYSSOP-UHFFFAOYSA-N

InChI

EINECS Number

403-800-1

MDL Number

MFCD01103222

HSN No

29339900

Molecular Weight

658.88 g/mol

Purity

Bisoctrizole 97% purity

Melting Point

195-200 °C

Boiling Point

771.6±70.0 °C at 760 mmHg

Freezing point

195 °C

Flash Point

420.5±35.7 °C

Density

1.2 g/cm3

Precise Quality

103597-45-1

PSA

77.8 Å²

logP

12.7

Average mass

658.89 g/mol

Monoisotopic mass

658.39952486 Da

Molar mass

658.88 g/mol

Vapour pressure

0 Pa at 25 °C

Precautionary Statement Codes

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

Skin Sens. 1 (96.4%) Eye Irrit. 2A (100%)

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