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
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 |
