4-(DIMETHYLAMINO)BENZONITRILE CAS 1197-19-9
Introduction：Basic information about 4-(DIMETHYLAMINO)BENZONITRILE CAS 1197-19-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
4-(DIMETHYLAMINO)BENZONITRILE Basic information
| Product Name: | 4-(DIMETHYLAMINO)BENZONITRILE |
| Synonyms: | 4-CYANODIMETHYLANILINE;4-(DiMethylaMino)benzonitrile, 95% 25GR;4-(DiMethylaMino)benzonitrile, 95% 5GR;4-(Dimethylamino)benzenecarbonitrile;Benzonitrile, p-(dimethylamino)-;Benzonitrile,4-(dimethylamino)-;N,N-Dimethyl-4-cyanoaniline;N,N-Dimethyl-p-cyanoaniline |
| CAS: | 1197-19-9 |
| MF: | C9H10N2 |
| MW: | 146.19 |
| EINECS: | 214-819-8 |
| Product Categories: | Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds |
| Mol File: | 1197-19-9.mol |
4-(DIMETHYLAMINO)BENZONITRILE Chemical Properties
| Melting point | 72-75 °C(lit.) |
| Boiling point | 318 °C(lit.) |
| density | 1.3346 (rough estimate) |
| refractive index | 1.5600 (estimate) |
| Fp | 317-319°C |
| storage temp. | 2-8°C, protect from light |
| solubility | soluble in Methanol |
| pka | 1.61±0.12(Predicted) |
| form | Crystalline Powder |
| color | Light brown |
| BRN | 971606 |
| InChI | InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 |
| InChIKey | JYMNQRQQBJIMCV-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(N(C)C)C=C1 |
| CAS DataBase Reference | 1197-19-9(CAS DataBase Reference) |
| EPA Substance Registry System | Benzonitrile, 4-(dimethylamino)- (1197-19-9) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38-43 |
| Safety Statements | 26-36/37-36 |
| RIDADR | 3276 |
| WGK Germany | 2 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
| Chemical Properties | light brown crystalline powder |
| Uses | 4-(Dimethylamino)benzonitrile is used in predicting the carcinogenicity of aromatic amine derivative in UK EMS collaborative study. |
| Uses | 4-(Dimethylamino)benzonitrile can be used in the synthesis of 3,6-diphenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione derivatives. |
| Synthesis Reference(s) | Tetrahedron Letters, 36, p. 4035, 1995 DOI: 10.1016/0040-4039(95)00710-T |
| General Description | 4-(Dimethylamino)benzonitrile is extensively used in photophysical studies due to its ability to undergo intramolecular charge transfer (ICT) from the dimethylamino moiety to the cyanophenyl moiety on photo-excitation leading to the appearance of dual fluorescence. |
4-(DIMETHYLAMINO)BENZONITRILE Preparation Products And Raw materials
| Raw materials | Sodium hydroxide-->Hydrochloric acid-->Diethyl ether-->Sodium sulfate-->Acetic anhydride-->Trimethyl phosphate-->4-Aminobenzonitrile-->Benzamide, 4-(dimethylamino)-N,N-dimethyl--->4-(DIMETHYLAMINO)PHENYLACETIC ACID-->4-(DIMETHYLAMINO)BENZYL ALCOHOL-->N-Methoxy-N-Methyl-4-(diMethylaMino)benzaMide-->4-(N-Methylamino)benzonitrile |
| Preparation Products | 4-DIMETHYLAMINO-BENZAMIDINE-->Formamide, N-(4-cyanophenyl)-N-methyl--->3-oxatricyclo[3.2.1.02,4]octane-->4-DIMETHYLAMINOBENZYLAMINE |
