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| CAS No.: | 823-40-5 |
|---|---|
| Name: | 2,6-Diaminotoluene |
| Article Data: | 48 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H10N2 |
| Molecular Weight: | 122.17 |
| Synonyms: | Toluene-2,6-diamine(7CI,8CI);1,3-Diamino-2-methylbenzene;2,6-Diamino-1-methylbenzene;2,6-Toluenediamine;2-Methyl-m-phenylenediamine; |
| EINECS: | 212-513-9 |
| Density: | 1.107 g/cm3 |
| Melting Point: | 104-106 °C(lit.) |
| Boiling Point: | 284.2 °C at 760 mmHg |
| Flash Point: | 148.3 °C |
| Solubility: | 60 g/L (15 °C) in water |
| Appearance: | off-white crystals |
| Hazard Symbols: |
 Xn,  N
|
| Risk Codes: | 21/22-43-51/53-68-50/53-40 |
| Safety: | 24-36/37-61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 52.04000 |
| LogP: | 2.32180 |
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- 90221-55-92-bromo-5-methylbenzaldehyde
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 50℃; under 1500.15 Torr; for 0.666667h; Inert atmosphere; | 100% |
| With Fe3O4Rh; hydrazine hydrate In ethanol at 80℃; for 2h; Inert atmosphere; | 99% |
| With hydrogen In ethanol at 20℃; under 760.051 Torr; for 1h; | 99% |
| Conditions | Yield |
|---|---|
| With formic acid; trifluoroborane diethyl ether | 94% |
| With water In 1,2-dimethoxyethane at 37℃; for 0.0166667h; Kinetics; Further Variations:; Solvents; Reaction partners; Hydrolysis; | 10.7% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; urea; copper(l) chloride at 160℃; under 17251.7 Torr; for 20h; Reagent/catalyst; Temperature; Pressure; Autoclave; | 85.5% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin; tin(ll) chloride auf dem Wasserbade; | |
| With formic acid In ethanol; water at 20℃; for 1h; | |
| With sodium tetrahydroborate In ethanol; water at 25℃; for 0.5h; | |
| With hydrazine hydrate In ethanol at 80℃; for 0.483333h; Catalytic behavior; | |
| With hydrazine hydrate In ethanol at 90℃; for 14h; Catalytic behavior; Green chemistry; |
- 64-17-5
ethanol
- 606-20-2
2,6-dinitrotoluene
A
- 823-40-5
2,6-Diaminotoluene
B
- 5805-95-8
2-hydroxylamino-6-nitrotoluene
| Conditions | Yield |
|---|---|
| Hydrogenation; |
- 7664-93-9
sulfuric acid
- 606-20-2
2,6-dinitrotoluene
A
- 823-40-5
2,6-Diaminotoluene
B
- 603-83-8
3-nitro-o-tolylamine
C
- 5806-00-8
6,6'-Dinitro-2,2'-azoxytoluene
| Conditions | Yield |
|---|---|
| bei der elektrolytischen Reduktion; |
| Conditions | Yield |
|---|---|
| In phosphate buffer pH=2; Electrochemical reaction; |
- 188910-15-8
(S)-2-Amino-4-[(R)-2-{3-[(R)-2-((S)-4-amino-4-carboxy-butyrylamino)-2-(carboxymethyl-carbamoyl)-ethylsulfanylcarbonylamino]-2-methyl-phenylcarbamoylsulfanyl}-1-(carboxymethyl-carbamoyl)-ethylcarbamoyl]-butyric acid
A
- 823-40-5
2,6-Diaminotoluene
| Conditions | Yield |
|---|---|
| With Hank's balanced salts solution at 25℃; for 72h; Kinetics; Product distribution; Further Variations:; Temperatures; |
- 121-14-2
2,4-dinitrotoluene
- 618-85-9
3,5-dinitrotoluene
- 606-20-2
2,6-dinitrotoluene
- 602-01-7
1-methyl-2,3-dinitrobenzene
- 610-39-9
3,4-Dinitrotoluene
- 619-15-8
2,5-dinitrotoluene
A
- 108-71-4
3,5-diaminotoluene
B
- 823-40-5
2,6-Diaminotoluene
C
- 95-80-7
4-methylbenzene-1,3-diamine
D
- 496-72-0
4-methyl-1,2-diaminobenzene
E
- 95-70-5
2-methyl-p-phenylenediamine
F
- 2687-25-4
3-methyl-1,2-benzenediamine
| Conditions | Yield |
|---|---|
| With hydrogen; nickel at 120 - 140℃; under 11251.1 - 22502.3 Torr; Product distribution / selectivity; |
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Analytical Methods
For occupational chemical analysis use OSHA: #ID-65 or NIOSH: 2,6-Toluenediamine 5516.
Specification
The 2,6-Diaminotoluene, with the CAS registry number 823-40-5,is also known as 1,3-Diamino-2-methylbenzene; 2,6-Diamino-1-methylbenzene; 2,6-Toluenediamine; 2-Methyl-m-phenylenediamine. It belongs to the product categories of Aromatics;Mutagenesis Research Chemicals. This chemical's molecular formula is C7H10N2 and molecular weight is 122.17. Its EINECS number is 212-513-9.What's more,Its systematic name is 2,6-Diaminotoluene.It is a off-white crystals and water soluble. Its neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Physical properties about 2,6-Diaminotoluene are:
(1)ACD/LogP: -0.241; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 15.00; (8)ACD/KOC (pH 7.4): 17.57; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 39.55 cm3; (14)Molar Volume: 110.269 cm3; (15)Surface Tension: 52.3349990844727 dyne/cm; (16)Density: 1.108 g/cm3; (17)Flash Point: 148.346 °C; (18)Enthalpy of Vaporization: 52.319 kJ/mol; (19)Boiling Point: 284.224 °C at 760 mmHg; (20)Vapour Pressure: 0.00300000002607703 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Nc1cccc(N)c1C;
(2)Std. InChI:InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3;
(3)Std. InChIKey:RLYCRLGLCUXUPO-UHFFFAOYSA-N.
Safety Information of 2,6-Diaminotoluene:
The 2,6-Diaminotoluene is Harmful in contact with skin and if swallowed and possible risk of irreversible effects. It may cause sensitization by skin contact. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment,avoid release to the environment. Refer to special instructions / safety data sheets. But there is limited evidence of a carcinogenic effect. When you use it ,wear suitable protective clothing and gloves,and avoid contact with skin.