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| CAS No.: | 496-72-0 | |
|---|---|---|
| Name: | 3,4-Diaminotoluene | |
| Article Data: | 90 | |
| Molecular Structure: | ||
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| Formula: | C7H10N2 | |
| Molecular Weight: | 122.17 | |
| Synonyms: | Toluene-3,4-diamine(7CI,8CI);1,2-Diamino-4-methylbenzene;2-Amino-4-methylaniline;2-Amino-5-methylaniline;3,4-Diamino-1-methylbenzene;3,4-Tolylenediamine;4-Methyl-1,2-benzenediamine;4-Methyl-1,2-diaminobenzene;4-Methyl-1,2-phenylenediamine;4-Methyl-2-aminoaniline;4-Methyl-o-phenylenediamine;1,2-Benzenediamine,4-methyl-; | |
| EINECS: | 207-826-2 | |
| Density: | 1.107 g/cm3 | |
| Melting Point: | 87-89 °C(lit.) | |
| Boiling Point: | 262.3 °C at 760 mmHg | |
| Flash Point: | 132.1 °C | |
| Solubility: | 16 g/L (20 °C) in water | |
| Appearance: | off-white small blocks | |
| Hazard Symbols: |
 Xn
|
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| Risk Codes: | 20/21/22-36/37/38-52/53-40-36-22 | |
| Safety: | 26-37/39-61-36/37/39 | |
| Transport Information: | UN 2811 | |
| PSA: | 52.04000 | |
| LogP: | 2.32180 | |
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| Conditions | Yield |
|---|---|
| With hydrogen; nickel In methanol at 65 - 75℃; for 1h; Autoclave; Inert atmosphere; | 97% |
| With aluminum oxide; hydrazine hydrate; iron(III) chloride at 111℃; for 0.1h; Irradiation; microwave; | 96% |
| With hydrazine hydrate In ethanol at 70℃; for 4h; chemoselective reaction; | 94% |
| Conditions | Yield |
|---|---|
| With 5%-palladium/activated carbon; hydrogen In ethanol at 20℃; for 48h; | 96.6% |
| With hydrogen In methanol at 50℃; under 1500.15 Torr; for 0.25h; Inert atmosphere; | 88% |
| With 5 wt% ruthenium/carbon; hydrogen; sodium nitrite In isopropyl alcohol at 150℃; under 62256.2 Torr; for 4h; Temperature; Autoclave; |
| Conditions | Yield |
|---|---|
| With methanol; samarium diiodide In tetrahydrofuran at 20℃; for 0.333333h; | 91% |
| With magnesium In methanol at 45 - 60℃; for 1.83333h; | 86% |
- 496-72-0
4-methyl-1,2-diaminobenzene
| Conditions | Yield |
|---|---|
| With formic acid; zinc In methanol at 20℃; for 24h; Inert atmosphere; | 90% |
| Conditions | Yield |
|---|---|
| With tetrahydroxydiboron; water at 80℃; for 8h; | 86% |
| With tetrahydroxydiboron; 5%-palladium/activated carbon; water In acetonitrile at 50℃; for 24h; | 80% |
| With hydrogenchloride; tin |
- 19164-41-1
5-methylbenzofuroxan
- 496-72-0
4-methyl-1,2-diaminobenzene
| Conditions | Yield |
|---|---|
| With ammonium sulfate; magnesium In methanol Ambient temperature; | 80% |
| With Saccharomyces cerevisiae BY In methanol at 20℃; for 6.5h; pH=7.0; aq. buffer; Enzymatic reaction; | 80% |
- 496-72-0
4-methyl-1,2-diaminobenzene
| Conditions | Yield |
|---|---|
| With formic acid; zinc In methanol at 20℃; for 10h; Inert atmosphere; | 76% |
- 53476-34-9
2-amino-4-methylacetanilide
A
- 1792-41-2
2,5-dimethylbenzimidazole
B
- 496-72-0
4-methyl-1,2-diaminobenzene
| Conditions | Yield |
|---|---|
| Erhitzen; |
- 63189-97-9
(4-amino-3-nitrophenyl)methanol
- 496-72-0
4-methyl-1,2-diaminobenzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
- 496-72-0
4-methyl-1,2-diaminobenzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
3,4-Diaminotoluene(CAS NO.496-72-0), its Synonyms are o-Tolamine; Tolamine-3.4; Toluene-3.4-diamine;
1.2-Diamino-4-methylbenzene; 3.4-Diamino-1-methylbenzene; 4-Methyl-1.2-benzenediamine; Methylorthamine; 3-Methylorthamine; 4-Methyl-o-phenylenediamine; o-Toluylenediamine; 3.4-Toluylenediamine. It is off-white small blocks. It is used in the synthesis of colorlant compounds (dyestuffs, pigments, optical brighteners and hair dyes), pesticides, corrosion inhibitors and antioxidants.
Physical properties about 3,4-Diaminotoluene are: (1)ACD/LogP: 0.508; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.51; (4)ACD/BCF (pH 5.5): 1.21; (5)ACD/BCF (pH 7.4): 1.43; (6)ACD/KOC (pH 5.5): 37.99; (7)ACD/KOC (pH 7.4): 44.90; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.636; (12)Molar Refractivity: 39.55 cm3; (13)Molar Volume: 110.269 cm3; (14)Polarizability: 15.679 10-24cm3; (15)Surface Tension: 52.3349990844727 dyne/cm; (16)Density: 1.108 g/cm3; (17)Flash Point: 132.104 °C; (18)Enthalpy of Vaporization: 50.005 kJ/mol; (19)Boiling Point: 262.278 °C at 760 mmHg; (20)Vapour Pressure: 0.0109999999403954 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing and gloves;
3. Avoid release to the environment. Refer to special instructions safety data sheet;
4. Wear suitable protective clothing, gloves and eye/face protection;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3;
(2)InChIKey=DGRGLKZMKWPMOH-UHFFFAOYSA-N;
(3)Smilesc1(c(ccc(c1)C)N)N;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LDLo | subcutaneous | 100mg/kg (100mg/kg) | Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 17, Pg. 59, 1915. |