4-Bromo-2,6-xylenol

Product Information

Molecular Formula:
C8H9BrO
Molecular Weight:
201.06
Description
4-Bromo-2,6-dimethylphenol is a useful research chemical.
Synonyms
4-bromo-2,6-dimethylphenol
IUPAC Name
4-bromo-2,6-dimethylphenol
Canonical SMILES
CC1=CC(=CC(=C1O)C)Br
InChI
InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChI Key
ZLVFYUORUHNMBO-UHFFFAOYSA-N
Boiling Point
195.33 °C (rough estimate)
Melting Point
74-78 °C (lit.)
Purity
97 %
Density
1.3646 (rou gh estimate)
Appearance
Red or light brown crystalline powder with a phenolic odor
Refractive Index
1.5650 (estimate)
LogP
2.77150

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
199.98368 g/mol
Monoisotopic Mass
199.98368 g/mol
Topological Polar Surface Area
20.2Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
104
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113980265-A Preparation method of high-purity low-molecular-weight dihydroxy polyphenyl ether 2021-10-29
CN-113896715-A Acridone organic electroluminescent material and application thereof 2021-10-14
CN-113773667-A Organic small-molecule near-infrared two-region fluorescent dye and preparation method and application thereof 2021-09-22
CN-113511971-A 4-halogenated-2-methyl-2-ethyl crotonate and preparation method thereof 2021-07-14
JP-2021165303-A Pest control composition and control method 2021-07-07
JP-2021152084-A Pest control method 2021-07-02
JP-2021152085-A Pest control method 2021-07-02
JP-2021138753-A Pest control method for harmful arthropods using heterocyclic compounds 2021-06-10
JP-2021102661-A Pest control composition and control method 2021-04-16
JP-2021066733-A Pest control method using methyltetraprowl 2020-12-25

Literatures

PMID Publication Date Title Journal
15743897 2005-04-01 Novel [(biphenyloxy)propyl]isoxazole derivatives for inhibition of human rhinovirus 2 and coxsackievirus B3 replication The Journal of antimicrobial chemotherapy
14697702 2004-02-15 Luminescence quenching of tris(2,2'-bipyridine)ruthenium(II) by 2,6-dimethylphenol and 4-bromo-2,6-dimethylphenol in sol-gel-processed silicate thin films Journal of colloid and interface science
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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