5-Chloro-1,3-dimethoxybenzene
Product Information
Molecular Formula
C8H9ClO2
Molecular Weight
172.61
Description
5-Chloro-1,3-dimethoxybenzene (CAS# 7051-16-3) is a useful research chemical.
Synonyms
1-chloro-3,5-dimethoxybenzene
IUPAC Name
1-chloro-3,5-dimethoxybenzene
SMILES
COC1=CC(=CC(=C1)Cl)OC
InChI
InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChI Key
WQHNWJBSROXROL-UHFFFAOYSA-N
Boiling Point
238.2 °C at 760 mmHg
Melting Point
34-36 °C
Flash Point
234 °F
Purity
> 97.0 % (GC)
Density
1.155 g/cm3
Appearance
White to yellow or pink crystalline powder
Refractive Index
1.5100 (estimate)
LogP
2.35720
Safety Information
Hazards
H315 H319
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
172.0291072 g/mol
Monoisotopic Mass
172.0291072 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
107
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-113264837-A | Energetic ionic salt of 3, 5-dihydroxy-2, 4, 6-trinitrobenzene derivative and preparation method thereof | 2021-05-28 |
| CN-113072575-A | Preparation method of aromatic silicon organic compound | 2021-03-29 |
| CN-112159414-A | Nitrogen-containing compound, electronic component, and electronic device | 2020-10-28 |
| CN-112159414-B | Nitrogen-containing compound, electronic component, and electronic device | 2020-10-28 |
| CN-113054253-A | Overcharge-proof electrolyte of lithium ion battery | 2019-12-29 |
| CN-110818545-A | Method for preparing substituted aryl ketone by ketone arylation | 2019-11-23 |
| WO-2021096496-A1 | Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions | 2019-11-12 |
| KR-20210051032-A | Compound for organic optoelectronic device, composition for organic optoelectronic device and organic optoelectronic device and display device | 2019-10-29 |
| WO-2021085969-A1 | Compound for organic optoelectronic element, composition for organic optoelectronic element, organic optoelectronic element, and display device | 2019-10-29 |
| CN-112079824-A | Compound for organic photoelectric device, organic photoelectric device and display device | 2019-06-12 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 12868934 | 2003-07-25 | Formal synthesis of angiogenesis inhibitor NM-3 | The Journal of organic chemistry |
