3,5-Dimethoxybenzoyl chloride

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Product Information

Molecular Formula:
C9H9ClO3
Molecular Weight:
200.62
Description
3,5-Dimethoxybenzoyl chloride (CAS# 17213-57-9) is a useful research chemical.
Synonyms
3,5-dimethoxybenzoyl chloride
IUPAC Name
3,5-dimethoxybenzoyl chloride
Canonical SMILES
COC1=CC(=CC(=C1)C(=O)Cl)OC
InChI
InChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3
InChI Key
FTHPLWDYWAKYCY-UHFFFAOYSA-N
Boiling Point
157-158 °C16 mmHg (lit.)
Melting Point
43-46 °C (lit.)
Flash Point
>230 °F
Purity
> 98.0 % (GC) (T)
Density
1.2799 (rou gh estimate)
Appearance
White to light yellow powder to lump
Refractive Index
1.5230 (estimate)
LogP
2.08280

Safety Information

Hazards
H314 H290
Precautionary Statement
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word
Danger

Computed Properties

XLogP3
3.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
200.0240218 g/mol
Monoisotopic Mass
200.0240218 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
172
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
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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