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| CAS No.: | 838-88-0 |
|---|---|
| Name: | 4,4'-DIAMINO-3,3'-DIMETHYLDIPHENYLMETHANE |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C15H18N2 |
| Molecular Weight: | 226.321 |
| Synonyms: | o-Toluidine,4,4'-methylenedi- (6CI,7CI,8CI);2,2'-Dimethyl-4,4'-methylenedianiline;3,3'-Dimethyl-4,4'-diaminodiphenylmethane;4,4'-Methylenebis(o-toluidine);4,4'-Methylenebis[2-methylaniline];4,4'-Methylenedi-o-toluidine;Bis(3-methyl-4-aminophenyl)methane;Bis(4-amino-3-methylphenyl)methane;Di(3-methyl-4-aminophenyl)methane;Kayabond C 100;Kayahard MDT;NSC 37146; |
| EINECS: | 212-658-8 |
| Density: | 1.098 g/cm3 |
| Melting Point: | 155-157 °C |
| Boiling Point: | 406.6 °C at 760 mmHg |
| Flash Point: | 238.9 °C |
| Solubility: | Insoluble in water |
| Hazard Symbols: |
 T, N
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| Risk Codes: | 45-22-43-50/53 |
| Safety: | 53-45-60-61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 52.04000 |
| LogP: | 4.22100 |
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Consensus Reports
IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 248.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 4 ,1974,p. 73.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.
Standards and Recommendations
DFG MAK: Confirmed Animal Carcinogen, Suspected Human Carcinogen
Specification
The 4,4'-Diamino-3,3'-dimethyldiphenylmethane is an organic compound with the formula C15H18N2. The IUPAC name of this chemical is 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline. With the CAS registry number 838-88-0 and EINECS 212-658-8, it is also named as 4,4'-Methylene bis(2-methylaniline). The product's categories are Industrial / Fine Chemicals; Diphenylmethanes (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. When heated to decomposition it emits toxic fumes of NOx.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 34.82; (6)ACD/BCF (pH 7.4): 51.92; (7)ACD/KOC (pH 5.5): 393.7; (8)ACD/KOC (pH 7.4): 587.1; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 73.68 cm3; (15)Molar Volume: 205.9 cm3; (16)Polarizability: 29.21×10-24 cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 238.9 °C; (20)Enthalpy of Vaporization: 65.84 kJ/mol; (21)Boiling Point: 406.6 °C at 760 mmHg; (22)Vapour Pressure: 8.03E-07 mmHg at 25°C.
Preparation of 4,4'-Diamino-3,3'-dimethyldiphenylmethane: It can be obtained by methoxymethyl-o-tolyl-amine and o-toluidine; hydrochloride. This reaction needs solvents methanol and H2O by heating. The reaction time is 3 hours. The yield is 82%.
Uses of 4,4'-Diamino-3,3'-dimethyldiphenylmethane: It is used as H class insulation material, polyurethane adhesive, epoxy curing agent and so on. It also can react with 2-hydroxy-1,2-diphenyl-ethanone to get N,N'-bis(benzoin)-4,4'-diamino-3,3'-dimethyldiphenylmethane. This reaction needs reagent NaOAc and solvent ethanol by heating. The reaction time is 2 hours. The yield is 95%.
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When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also may cause sensitization by skin contact. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
1. SMILES:Nc1ccc(cc1C)Cc2ccc(N)c(c2)C
2. InChI:InChI=1/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3
3. InChIKey:WECDUOXQLAIPQW-UHFFFAOYAJ