4-Bromo-2,6-xylenol - CAS 2374-05-2
Catalog: |
BB018169 |
Product Name: |
4-Bromo-2,6-xylenol |
CAS: |
2374-05-2 |
Synonyms: |
4-bromo-2,6-dimethylphenol |
IUPAC Name: | 4-bromo-2,6-dimethylphenol |
Description: | 4-Bromo-2,6-dimethylphenol is a useful research chemical. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
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 |
MDL: | MFCD00002314 |
LogP: | 2.77150 |
Refractive Index: | 1.5650 (estimate) |
GHS Hazard Statement: | H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Publication Number | Title | Priority Date |
CN-113511971-A | 4-halogenated-2-methyl-2-ethyl crotonate and preparation method thereof | 20210714 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
JP-2021138753-A | Pest control method for harmful arthropods using heterocyclic compounds | 20210610 |
JP-2021102661-A | Pest control composition and control method | 20210416 |
PMID | Publication Date | Title | Journal |
15743897 | 20050401 | Novel [(biphenyloxy)propyl]isoxazole derivatives for inhibition of human rhinovirus 2 and coxsackievirus B3 replication | The Journal of antimicrobial chemotherapy |
14697702 | 20040215 | 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 |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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