(3,4,5-Trimethoxyphenyl)acetonitrile

Basic Information

View in Editor

CAS Number

13338-63-1

Molecular Formula

C11H13NO3

Molecular Weight

207.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

76.0 to 79.0 deg-C

Boiling Point

346.25°C (rough estimate)

Flash Point

132.8℃

Refractive Index

1.5100 (estimate)

SMILES

View in Editor

COC1=CC(=CC(=C1OC)OC)CC#N

InChI

InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3

InChIKey

ACFJNTXCEQCDBX-UHFFFAOYSA-N

LogP

1.77848

Complexity

221

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Benzeneacetonitrile,4,5-trimethoxy-
3,4,5-Trimethoxybenzylnitrile
3,4,5-Trimethoxyphenylacetonitrile, 97%
SR-01000944709
ACETONITRILE, (3,4,5-TRIMETHOXYPHENYL)-
AS-15523
Tox21_113825
13338-63-1
3,4,5-trimethoxyphenyl acetonitrile
N1GY2UD3JX
FT-0614175
AM20020407
EINECS 236-388-5
(3,4,5-Trimethoxyphenyl)acetonitrile
AKOS005363771
MFCD00001912
Benzeneacetonitrile, 3,4,5-trimethoxy-
3,4,5-Trimethoxyphenylacetonitrile
CS-W015270
2-(3,4,5-trimethoxyphenyl)acetonitrile
3,4,5-Trimethoxyphenylacetylnitryl
UNII-N1GY2UD3JX
NS00024284
2-(3,4,5-trimethoxyphenyl)acetonitrile;3,4,5-Trimethoxyphenylacetonitrile
NSC 97556
SY015810
(3,5-Trimethoxyphenyl)acetonitrile
LCZC3016
3,5-Trimethoxybenzylnitrile
3,4,5-trimethoxyphenyl-acetonitrile
BRN 2214548

MDL Number

MFCD00001912

Customs Code

2926909090

FAQ

What is (3,4,5-Trimethoxyphenyl)acetonitrile (CAS: 13338-63-1)?

3,4,5-Trimethoxyphenylacetonitrile (CAS: 13338-63-1) is a colorless to light yellow liquid with a molecular formula of C12H13NO2. It is primarily used in the synthesis of pharmaceuticals and as a reagent in organic chemistry due to its functional groups.

What are the main uses of (3,4,5-Trimethoxyphenyl)acetonitrile (CAS: 13338-63-1)?

The main uses of (3,4,5-Trimethoxyphenyl)acetonitrile (CAS: 13338-63-1) include its application in the synthesis of pharmaceuticals, particularly in the production of antiviral and antitumor compounds. It also serves as a reagent in organic chemistry for various transformations.

Is (3,4,5-Trimethoxyphenyl)acetonitrile (CAS: 13338-63-1) safe?

(3,4,5-Trimethoxyphenyl)acetonitrile (CAS: 13338-63-1) is generally considered safe for handling when proper precautions are taken. However, it should be used in a well-ventilated area, and protective gloves and goggles should be worn to prevent skin and eye contact. Avoid inhaling vapors and ensure good air circulation.

How should (3,4,5-Trimethoxyphenyl)acetonitrile (CAS: 13338-63-1) be stored?

(3,4,5-Trimethoxyphenyl)acetonitrile (CAS: 13338-63-1) should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. Store at room temperature (15-25°C) and avoid temperatures above 30°C to maintain stability and safety.