A2613712
3-Cyanobenzoic Acid , >98.0% , 1877-72-1
Synonym(s):
Isophthalic acid mononitrile
CAS NO.：1877-72-1
Empirical Formula: C8H5NO2
Molecular Weight: 147.13
MDL number: MFCD00002486
EINECS: 217-511-1
| Pack Size | Price | Stock | Quantity |
| 5G | RMB27.20 | In Stock |
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| 10G | RMB35.20 | In Stock |
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| 25G | RMB63.20 | In Stock |
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| 50G | RMB125.60 | In Stock |
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| 100G | RMB178.40 | In Stock |
|
| 250G | RMB438.40 | In Stock |
|
| 500g | RMB648.00 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | 220-224 °C (lit.) |
| Boiling point: | 267.22°C (rough estimate) |
| Density | 1.3067 (rough estimate) |
| refractive index | 1.4700 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Powder |
| pka | 3.60(at 25℃) |
| color | White to almost white |
| BRN | 1862566 |
| InChI | InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11) |
| InChIKey | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(C#N)=C1 |
| CAS DataBase Reference | 1877-72-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3-cyano-(1877-72-1) |
Description and Uses
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).
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P302+P352-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 26-36-22 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
