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(3,4-Dimethoxyphenyl)acetonitrile
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Name

(3,4-Dimethoxyphenyl)acetonitrile

 EINECS 202-225-1
CAS No. 93-17-4 Density 1.082 g/cm3
PSA 42.25000 LogP 1.76988
Solubility insoluble in water Melting Point 54-57 °C(lit.)
Formula C10H11NO2 Boiling Point 319.7 °C at 760 mmHg
Molecular Weight 177.203 Flash Point 116.6 °C
Transport Information UN 3276 Appearance white to almost white crystals or cryst. needles
Safety 36/37-45-22-36-26 Risk Codes 22-23/24/25-36/37/38-20/21/22
Molecular Structure Molecular Structure of 93-17-4 ((3,4-Dimethoxyphenyl)acetonitrile) Hazard Symbols HarmfulXn, ToxicT
Synonyms

Acetonitrile,(3,4-dimethoxyphenyl)- (6CI,7CI,8CI);3,4-Dimethoxyphenylacetonitrile;2-(3,4-Dimethoxyphenyl)acetonitrile;3,4-Dimethoxybenzyl cyanide;Homoveratronitrile;NSC 6324;Veratryl cyanide;

Article Data 50

(3,4-Dimethoxyphenyl)acetonitrile Synthetic route

5663-56-9

2-(3,4-dimethoxyphenyl)acetamide

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
With ethyl phosphodichloridite; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 2h;92%
7306-46-9

4-chloromethyl-1,2-dimethoxy-benzene

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
With sodium cyanide91%
84784-38-3

α-(3,4-dimethoxyphenyl)-α-(methylthio)acetonitrile

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
With acetic acid; zinc at 100℃; for 1h;90%
77733-60-9

2-(3,4-dimethoxyphenyl)acetaldehyde oxime

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
With trimethylsilyl iodide; 1,1,1,3,3,3-hexamethyl-disilazane In chloroform at 56℃; for 4h;86%
With trimethylsilyl iodide; 1,1,1,3,3,3-hexamethyl-disilazane In chloroform at 56℃; for 4h; Product distribution; other temperature, without hexamethyldisilazane (TMS2NH);86%
With acetic anhydride
With trimethylsilyl iodide In chloroform for 2h; Ambient temperature;40 mg
928664-98-6

4-isoxazoleboronic acid pinacol ester

2859-78-1

4-Bromoveratrole

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium fluoride; water In dimethyl sulfoxide at 130℃; for 16h; Domino Suzuki coupling and fragmentation reaction; Inert atmosphere;84%
145736-65-8

3,4-Dimethoxyphenylthioacetamid

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
With 1-oxa-2-azaspiro[2.5]octane In toluene at 20 - 25℃; for 4h;82%
2859-78-1

4-Bromoveratrole

75-05-8

acetonitrile

A

93-17-4

3,4-dimethoxyphenylacetonitrile

B

7250-04-6

bis(3,4-dimethoxyphenyl)acetonitrile

Conditions
ConditionsYield
With ethoxyethoxyethanol; sodium amide In 1,2-dimethoxyethane 1.) 45 deg C, 2 h, 2.) -10 deg C, 2 h, 3.) -45 deg C, 4.5 h;A 78%
B 8%
143-33-9

sodium cyanide

76950-82-8

1-(3,4-Dimethoxy-benzyl)-2-methylsulfanyl-4,6-diphenyl-pyridinium; iodide

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
In 1,2-dimethoxyethane for 24h; Heating;76%
151-50-8

potassium cyanide

7306-46-9

4-chloromethyl-1,2-dimethoxy-benzene

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
In dimethyl sulfoxide for 20h;67%
With benzene
With hydrogenchloride
120-20-7

2-(3,4-dimethoxyphenyl)-ethylamine

93-17-4

3,4-dimethoxyphenylacetonitrile

Conditions
ConditionsYield
With iodine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 65℃; for 3h;64%

(3,4-Dimethoxyphenyl)acetonitrile Chemical Properties

IUPAC Name: 2-(3,4-Dimethoxyphenyl)acetonitrile
Synonyms of 3,4-Dimethoxyphenylacetonitrile (CAS NO.93-17-4): 3,4-Dimethoxybenzyl cyanide ; 3,4-Dimethoxyphenylacetonitrile ; 3,4-Dimethylbenzyl cyanide ; 4-10-00-01513 (Beilstein Handbook Reference) ; AI3-23882 ; Acetonitrile, 3,4-(dimethoxyphenyl)- ; BRN 1956100 ; EINECS 202-225-1 ; Homoveratronitrile ; NSC 6324 ; Veratryl cyanide ; Benzeneacetonitrile, 3,4-dimethoxy- (9CI)
CAS NO: 93-17-4
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998
Molecular Structure:

Melting Point: 54-57 °C
ProductCategories: Catechol Derivatives ; Aromatic Nitriles ; Nitriles
Polar Surface Area: 42.25 Å2
Index of Refraction: 1.511
Molar Refractivity: 49.07 cm3
Molar Volume: 163.6 cm3
Surface Tension: 37.7 dyne/cm
Density of 3,4-Dimethoxyphenylacetonitrile (CAS NO.93-17-4): 1.082 g/cm3
Flash Point: 116.6 °C
Enthalpy of Vaporization: 56.13 kJ/mol
Boiling Point: 319.7 °C at 760 mmHg
Vapour Pressure: 0.000333 mmHg at 25°C

(3,4-Dimethoxyphenyl)acetonitrile Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 178mg/kg (178mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00302,
mouse LD50 oral 1029mg/kg (1029mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA		 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982.
rat LD50 unreported 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ANALGESIA		 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982.

(3,4-Dimethoxyphenyl)acetonitrile Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

(3,4-Dimethoxyphenyl)acetonitrile Safety Profile

Hazard Codes of 3,4-Dimethoxyphenylacetonitrile (CAS NO.93-17-4): HarmfulXn,ToxicT
Risk Statements: 23/24/25-36/37/38-20/21/22 
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37-45-22-26 
S36/37: Wear suitable protective clothing and gloves. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S22: Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3276
WGK Germany: 3
RTECS: AL9325000
Hazard Note: Irritant
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.

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