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33719-74-3

Basic Information
CAS No.: 33719-74-3
Name: 3,5-Dichloroanisole
Article Data: 13
Molecular Structure:
Molecular Structure of 33719-74-3 (3,5-Dichloroanisole)
Formula: C7H6Cl2O
Molecular Weight: 177.03
Synonyms: Anisole,3,5-dichloro- (8CI);1,3-Dichloro-5-methoxybenzene;3,5-Dichloroanisole;
EINECS: 251-655-6
Density: 1.289g/cm3
Melting Point: 39-41 °C (dec.)(lit.)
Boiling Point: 223.6 °C at 760 mmHg
Flash Point: 106.1 °C
Appearance: Whitetoyellowcrystalpowde
Hazard Symbols: HarmfulXn
Risk Codes: 20/22-36/37/38
Safety: 22-24/25-37/39-26
PSA: 9.23000
LogP: 3.00200
Synthetic route
591-35-5

3,5-dichlorophenol

77-78-1

dimethyl sulfate

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
With potassium carbonate In acetone for 3h;100%
With potassium carbonate In acetone for 3h; Ambient temperature;100%
With sodium hydroxide
591-35-5

3,5-dichlorophenol

616-38-6

carbonic acid dimethyl ester

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 90℃; Inert atmosphere;100%
108-70-3

1,3,5-trichlorobenzene

124-41-4

sodium methylate

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
In dimethyl sulfoxide at 80 - 90℃; Concentration; Reagent/catalyst; Solvent; Temperature; Time;98%
In N,N,N,N,N,N-hexamethylphosphoric triamide at 120℃; for 1h;78%
In methanol; dimethyl sulfoxide at 50.1℃; Rate constant;
With methanol at 180℃;
67-56-1

methanol

108-70-3

1,3,5-trichlorobenzene

124-41-4

sodium methylate

A

591-35-5

3,5-dichlorophenol

B

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
at 180℃; im Rohr;
at 175℃; Kinetics; im Rohr;
591-35-5

3,5-dichlorophenol

74-88-4

methyl iodide

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
With sodium hydroxide In N,N-dimethyl acetamide at 25℃; Rate constant;
65800-69-3

3,5-dichlorophenolate

29829-22-9

S-methyldibenzothiophenium tetrafluoroborate

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
In methanol at 30℃; for 3h;
626-43-7

3,5-Dichloroaniline

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Diazotization.Verkochen mit H2SO4
2: NaOH-solution
View Scheme
929626-16-4

2-(3-chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

33719-74-3

3,5-dichloroanisole

Conditions
ConditionsYield
With copper dichloride In methanol at 90℃;193 mg
33719-74-3

3,5-dichloroanisole

54135-82-9

3,4,5-trichloroanisole

Conditions
ConditionsYield
With trichloroisocyanuric acid In N,N-dimethyl-formamide for 1h;87%
With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide for 1h; Ambient temperature;87%
With chlorine
33719-74-3

3,5-dichloroanisole

89-75-8

2,4-dichlorobenzoyl chloride

934562-64-8

(2,6-dichloro-4-methoxyphenyl)(2,4-dichlorophenyl)methanone

Conditions
ConditionsYield
With aluminium trichloride In nitrobenzene at -78 - 20℃; for 25h; Friedel-Crafts reaction;85%
With aluminum (III) chloride In nitrobenzene at -78 - 20℃; for 25h;85%
Stage #1: 3,5-dichloroanisole; 2,4-dichlorobenzoyl chloride With aluminum (III) chloride In nitromethane at -78 - 20℃; for 25h; Friedel Crafts Acylation;
Stage #2: With sodium hydroxide In diethyl ether; nitromethane at 0℃; Product distribution / selectivity; Friedel Crafts Acylation;
80%
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  • 3,5-Dichloroanisole CAS No.33719-74-3

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    3,5-Dichloroanisole CAS No.33719-74-3

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Specification

The 3,5-Dichloroanisole, with CAS registry number 33719-74-3, belongs to the following product categories: (1)Aromatic Ethers; (2)Anisole; (3)Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Chlorine Compounds. Its systematic name and its IUPAC name are the same, which is 1,3-dichloro-5-methoxybenzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 454.99; (6)ACD/BCF (pH 7.4): 454.99; (7)ACD/KOC (pH 5.5): 2781; (8)ACD/KOC (pH 7.4): 2781; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 42.72 cm3; (15)Molar Volume: 137.3 cm3; (16)Polarizability: 16.93×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Enthalpy of Vaporization: 44.14 kJ/mol; (19)Vapour Pressure: 0.142 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3,5-Dichloroanisole irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, it is harmful by inhalation and if swallowed. So avoid contact with skin and eyes and do not breathe dust.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1cc(OC)cc(Cl)c1
(2)InChI: InChI=1/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
(3)InChIKey: SSNXYMVLSOMJLU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
(5)Std. InChIKey: SSNXYMVLSOMJLU-UHFFFAOYSA-N