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1,3-Dimethoxybenzene

CAT: 0804-HY-34487-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0804-HY-34487-01Size:50 g
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Description
1,3-Dimethoxybenzene belongs to the class of organic compounds known as dimethoxybenzenes. 1,3-Dimethoxybenzene is an intermediate in synthesis of organic compounds[1].
CAS Number
151-10-0
Product Name Alternative
Resorcinol dimethyl ether
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/1-3-dimethoxybenzene.html
Concentration
10mM
Purity
99.99
Solubility
DMSO : ≥ 100 mg/mL
Smiles
COC1=CC(OC)=CC=C1
Molecular Formula
C8H10O2
Molecular Weight
138.17
Precautions
H302, H315, H319, H335
References & Citations
[1]Gregory Michael Shutske, et al. Process for the preparation of 2-chloro-1,3-dimethoxybenzene. EP0067342A1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1,3-Dimethoxybenzene

1,3-Dimethoxybenzene is a member of methoxybenzenes.

CAS Number151-10-0
PubChem CID9025
IUPAC Name1,3-dimethoxybenzene
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP2.2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity83
SMILES
COC1=CC(=CC=C1)OC
InChI
InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
InChIKey
DPZNOMCNRMUKPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dimethoxybenzene
CAS: 151-10-0
CID: 9025
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area18.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity83.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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