
CAS Number13338-63-1
Synonyms2-(3,4,5-trimethoxyphenyl)acetonitrile; 2-(3,4,5-trimethoxyphenyl)ethanenitrile; InChI=1/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H; ST5308013; Benzeneacetonitrile, 3,4,5-trimethoxy-
Molecular Formula(CH3O)3C6H2CH2CN
Molecular Weight207.23
Purity97%
Melting Point77-79 °C (lit.)
Appearancesolid
EINECS236-388-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 13338-63-1 |
| Catalog No. | 2A-9003723 |
| Synonyms | 2-(3,4,5-trimethoxyphenyl)acetonitrile; 2-(3,4,5-trimethoxyphenyl)ethanenitrile; InChI=1/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H; ST5308013; Benzeneacetonitrile, 3,4,5-trimethoxy- |
| Molecular Formula | (CH3O)3C6H2CH2CN |
| Molecular Weight | 207.23 |
| Purity | 97 |
| Melting Point | 77-79 °C (lit.) |
| Appearance | solid |
| EINECS | 236-388-5 |
| HTC | 2926.90.4300 |
| PubChem ID | 24846877 |
| MDL Number | MFCD00001912 |
| SMILES | COc1cc(CC#N)cc(OC)c1OC |
| InChI | 1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3 |
| InChI Key | ACFJNTXCEQCDBX-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2214548 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Xn |
| Risk Codes | R20/21/22 |
| Safety Description | S24/25 |
| MSDS | msds/3723_1_13338_63_1.pdf |
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