M-TOLIDINE CAS#: 84-67-3; 凯望编码 (ChemWhat Code): 1178178
Identification
| 英文名 | M-TOLIDINE |
| IUPAC Name | 4-(4-amino-2-methylphenyl)-3-methylaniline |
| 分子结构 |  |
| CAS编号 | 84-67-3 |
| EINECS Number | No data available |
| MDL Number | MFCD02269175 |
| Beilstein Registry Number | No data available |
| 别名 | 2,2′-dimethylbenzidine4,4′-diamino-2,2′-dimethylbiphenyl2,2′-dimethyl-[1,1′-biphenyl]-4,4′-diamine2,2′-Dimethyl-benzidin2,2′-dimethyl-4,4′-diaminobiphenylm-tolidine2,2′-dimethyl-biphenyl-4,4′-diamine |
| 分子式 | C14H16N2 |
| 分子量 | 212.290 |
| InChI | InChI=1S/C14H16N2/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2/h3-8H,15-16H2,1-2H3 |
| InChI Key | QYIMZXITLDTULQ-UHFFFAOYSA-N |
| Canonical SMILES | Cc1cc(ccc1c2ccc(cc2C)N)N |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| JP2019/199459 | MANUFACTURING METHOD OF FLUORINE-CONTAINING AROMATIC DIAMINE | 2019 |
| CN104837809 | Comprising hexafluoro isopropyl alcohol base diamine, using the polyimide and polyamide, its compound of ring, and its manufacturing method | 2017 |
| US4801694 | Triazinyl reactive dyestuffs in which triazinyl group is further substituted with a beta-chloroethylsulfonyl- or vinylsulfonylbutyrylamino moiety | 1989 |
Physical Data
| Appearance | White to off-white solid |
| Solubility | Soluble in chloroform (a little), methanol (a little) |
| Melting Point, °C | Solvent (Melting Point) |
| 86 | toluene, cyclohexane |
| 104 – 106 | |
| 88 – 89 | benzene, petroleum ether |
| 105 – 106 | aq. ethanol |
| Density, g·cm-3 | Type (Density) |
| 1.18 | crystallographic |
| Description (Association (MCS)) |
| Adsorption |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 100 |
| Chemical shifts | 13C | CDCl3 | 125 |
| Chemical shifts | 13C | solid | 67.8 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| Reflection spectrum, Spectrum | ||
| Spectrum | ethanol | 220 – 310 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| With 1,4-dihydroxy-9,10-anthracenedione; platinum on carbon; hydrogen; sodium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene; water at 65 – 75℃; under 6750.68 Torr; for 8h; Solvent; Reagent/catalyst; Pressure; Temperature; Autoclave; | 79.2% |
| With sodium hydroxide; ethanol; zinc man gibt weitere 150 g Zinkstaub hinzu und kocht dann mit Salzsaeure; das ausgeschiedene Tolidinhydrochlorid bringt man durch Wasser in Loesung und faellt es durch konz.Salzsaeure wieder aus; | |
| (i) Zn, aq. NaOH, (ii) aq. HCl, Et2O; Multistep reaction; |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P261, P264, P270, P271, P273, P280, P264, P270, P301+P317, P330, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 212.294 |
| logP | 3.202 |
| HBA | 2 |
| HBD | 2 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 52.04 |
| Rotatable Bond (RotB) | 1 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 4,4’-Diamino-2,2’-dimethylbiphenyl (CAS 84-67-3) is commonly used in high-performance polyimide materials for integrated circuit packaging. It serves as one of the core monomers for high-performance polyimides, capable of optimizing the performance of packaging resins by enhancing their heat resistance, insulation properties, and toughness. |
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认证生产商 | |
| Warshel Chemical Ltd | <a href="https://www.warshel.com/44-diamino-22-dimethylbiphenyl-cas-84-67-3/ |
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