3-Cyanobenzoic acid
ALDRICH/157163 - 98%
Synonym: Isophthalic acid mononitrile
CAS Number: 1877-72-1
Empirical Formula (Hill Notation): C8H5NO2
Molecular Weight: 147.13
EC Number: 217-511-1
MDL Number: MFCD00002486
Linear Formula: NCC6H4CO2H
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material.
This image depicts SKU: 157163-10G
This image depicts SKU: 157163-10G
| assay | 98% |
| form | powder |
| functional group | carboxylic acid |
| nitrile | |
| InChI | 1S/C8H5NO2/c9-5-6-2-1-3-7 |
| InChI key | GYLKKXHEIIFTJH-UHFFFAOYSA |
| mp | 220-224 °C (lit.) |
| Quality Level | 100  |
| SMILES string | OC(=O)c1cccc(c1)C#N |
| Application: | 3-Cyanobenzoic acid was used in the preparation of new Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers via in situ [2+3] cycloaddition reactions with NaN3 in the presence of Zn(II) and/or Co(II) salts under hydrothermal conditions. It was also used in the synthesis of three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (3-Hcnba = 3-cyanobenzoic acid). |
| Packaging: | 10 g in poly bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| mp | 220-224 °C (lit.) |
| UNSPSC | 12352100 |