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| CAS No.: | 3535-37-3 |
|---|---|
| Name: | 3,4-Dimethoxybenzoyl chloride |
| Article Data: | 127 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9ClO3 |
| Molecular Weight: | 200.622 |
| Synonyms: | Veratroylchloride (7CI,8CI);3,4-Dimethoxy-1-benzenecarbonyl chloride;3,4-Dimethoxybenzoic acid chloride;Benzoylchloride, 3,4-dimethoxy-;3,4-Dimethoxyphenylcarbonyl chloride;Veratric acid chloride; |
| EINECS: | 222-568-0 |
| Density: | 1.224 g/cm3 |
| Melting Point: | 70-73 °C(lit.) |
| Boiling Point: | 298.2 °C at 760 mmHg |
| Flash Point: | 129.2 °C |
| Appearance: | off-white to grey crystals, flakes or chunks |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 35.53000 |
| LogP: | 2.08280 |
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| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride In benzene | 100% |
| With thionyl chloride In dichloromethane at 40℃; for 4h; Solvent; | 100% |
| With thionyl chloride at 20℃; for 5h; | 100% |
| Conditions | Yield |
|---|---|
| Stage #1: 1-(3,4-dimethoxyphenyl)ethanone With pyridine; disulfur dichloride In chlorobenzene at 20℃; for 2h; Stage #2: With sulfuryl dichloride In chlorobenzene at 20 - 132℃; for 15.5h; Reagent/catalyst; Temperature; | 77% |
| Stage #1: 1-(3,4-dimethoxyphenyl)ethanone With pyridine; sulfur monochloride In chlorobenzene at 20℃; Stage #2: With thionyl chloride In chlorobenzene at 20 - 132℃; | 47% |
| With pyridine; disulfur dichloride at 70 - 136℃; for 22h; | 79 %Spectr. |
- 93342-78-0
1-(3,4-Dimethoxy-benzoyl)-3-methyl-3H-imidazol-1-ium; chloride
A
- 616-47-7
1-methyl-1H-imidazole
B
- 3535-37-3
3,4-dimethoxybenzoic acid chloride
| Conditions | Yield |
|---|---|
| In dichloromethane at 25℃; Rate constant; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride In diethyl ether at 0℃; |
- 10026-13-8, 874483-75-7
phosphorus pentachloride
- 93-07-2
Veratric acid
- 3535-37-3
3,4-dimethoxybenzoic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: KOH / ethanol; H2O / 25 h / Heating 2: SOCl2 / 3 h / Heating View Scheme |
- 93-07-2
Veratric acid
- 69788-97-2
N-ethyl-N-(6-hydroxyhexyl)-6-methoxy-1,2,3,4-tetrahydro-2-naphthylamine
- 3535-37-3
3,4-dimethoxybenzoic acid chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / methanol; water / 2 h / Reflux 2: thionyl chloride / 2 h / Reflux View Scheme |
| Conditions | Yield |
|---|---|
| In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h; |
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Chemistry
The molecular structure of 3,4-Dimethoxybenzoyl chloride (CAS NO.3535-37-3):
IUPAC Name: 3,4-Dimethoxybenzoyl chloride
Molecular Weight: 200.61896 g/mol
Molecular Formula: C9H9ClO3
Density: 1.224 g/cm3
Melting Point: 70-73 °C(lit.)
Boiling Point: 298.2 °C at 760 mmHg
Flash Point: 129.2 °C
Index of Refraction: 1.52
Molar Refractivity: 49.85 cm3
Molar Volume: 163.8 cm3
Surface Tension: 37.1 dyne/cm
Enthalpy of Vaporization: 53.81 kJ/mol
Vapour Pressure: 0.00129 mmHg at 25 °C
Sensitive: moisture sensitive
XLogP3: 2.6
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 200.024022
MonoIsotopic Mass: 200.024022
Topological Polar Surface Area: 35.5
Heavy Atom Count: 13
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)Cl)OC
InChI: InChI=1S/C9H9ClO3/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
InChIKey: VIOBGCWEHLRBEP-UHFFFAOYSA-N
EINECS: 222-568-0
Product Categories: Aromatic Halides (substituted)
Uses
3,4-Dimethoxybenzoyl chloride (CAS NO.3535-37-3) is used as intermediates of medicine and pesticide.
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 10-21
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
Specification
3,4-Dimethoxybenzoyl chloride (CAS NO.3535-37-3) is also named as 3,4-dimethoxybenzene-1-carbonyl chloride ; Benzoyl chloride, 3,4-dimethoxy- ; Veratroyl chloride . 3,4-Dimethoxybenzoyl chloride (CAS NO.3535-37-3) is off-white to grey crystals, flakes or chunks.