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| Name |
N,N-Dimethyl-p-phenylenediamine dihydrochloride |
EINECS | 218-146-0 |
| CAS No. | 536-46-9 | Density | 0.94g/cm3 |
| PSA | 29.26000 | LogP | 3.52000 |
| Solubility | Soluble in water | Melting Point |
222 °C (dec.)(lit.) |
| Formula | C8H12N2.2(HCl) | Boiling Point | 262 °C at 760 mmHg |
| Molecular Weight | 209.119 | Flash Point | 88.6 °C |
| Transport Information | UN 2811 6.1/PG 2 | Appearance | white to beige to grey powder |
| Safety | 36/37-45 | Risk Codes | 23/24/25-43 |
| Molecular Structure |
|
Hazard Symbols |
 T
|
| Synonyms |
p-Phenylenediamine, N,N-dimethyl-, dihydrochloride(8CI); |
N,N-Dimethyl-p-phenylenediamine dihydrochloride Synthetic route
- 506-59-2
N,N-dimethylammonium chloride
- 100-00-5
4-chlorobenzonitrile
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In toluene at 20 - 40℃; for 2h; Temperature; Heating; | 97.3% |
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 220966-77-8
7-formyl-4-methyl-3-methylthio-2,2-dioxo-1-phenyl-1H-thieno<3,4-c><1,2>thiazine
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol for 4h; | 92% |
| Conditions | Yield |
|---|---|
| With (C2H5)3N; ZnCl2 In methanol; dichloromethane (Ar); stirred for 40 h at room temp.; washed (MeOH, EtOH, Et2O), recrystd. (MeOH/CH2Cl2), washed (MeOH, Et2O),dried (vac.); elem. anal.; | 90% |
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 100-06-1
1-(4-methoxyphenyl)ethanone
- 130597-95-4
(E)-4-((1-(4-methoxyphenyl)ethylidene)amino)-N,N-dimethylaniline
| Conditions | Yield |
|---|---|
| With potassium carbonate In dichloromethane; water; toluene at 160℃; Dean-Stark; | 89% |
- 2398-37-0
3-methoxyphenyl bromide
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 178400-99-2
4-(N,N-dimethylamino)-3’-methoxydiphenylamine
| Conditions | Yield |
|---|---|
| With potassium hydroxide; bis(tri-t-butylphosphine)palladium(0); cetyltrimethylammonim bromide In water; toluene at 90℃; for 1h; Product distribution / selectivity; | 88% |
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 56043-45-9, 13829-06-6
N,N,N',N'-tetramethylchlorformamidinium chloride
- 20815-34-3
N,N,N',N'-tetramethylguanidino-N",N"-dimethyl-p-phenylenediamine
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 0 - 20℃; for 21h; Schlenk technique; Inert atmosphere; | 87% |
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 530-62-1
1,1'-carbonyldiimidazole
- 4114-31-2
ethylhydrazine carboxylate
- 112667-72-8
1-ethoxycarbonyl-4-(4'-dimethylaminophenyl)semicarbazide
| Conditions | Yield |
|---|---|
| Stage #1: 1,1'-carbonyldiimidazole; ethylhydrazine carboxylate In N,N-dimethyl-formamide at 20℃; for 3h; Stage #2: 4-dimethylaminophenylamine dihydrochloride With triethylamine In N,N-dimethyl-formamide at 20℃; for 16h; | 81.6% |
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 90-02-8
salicylaldehyde
- 959-74-0
2-((4-(N,N-dimethylamino)aniline)formimidoyl)phenol
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 25℃; for 3h; Heating; | 78% |
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 851168-12-2
3,4,5-tris(hexadecyloxy)benzoic acid chloride
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; | 76% |
| Stage #1: 4-dimethylaminophenylamine dihydrochloride; 3,4,5-tris(hexadecyloxy)benzoic acid chloride With triethylamine In dichloromethane Stage #2: Reflux; |
- 536-46-9
4-dimethylaminophenylamine dihydrochloride
- 41279-57-6
1-naphthylcyanamide
- 124646-94-2
N-Cyano-N'-(4'-dimethylaminophenyl)-1,4-naphthoquinone di-imine
| Conditions | Yield |
|---|---|
| With sodium hydroxide; ammonium peroxydisulfate In water at 5℃; for 0.5h; | 72% |
| With sodium hydroxide; ammonium peroxydisulfate In water at 5℃; for 0.5h; | 72% |
N,N-Dimethyl-p-phenylenediamine dihydrochloride Consensus Reports
Reported in EPA TSCA Inventory.
N,N-Dimethyl-p-phenylenediamine dihydrochloride Specification
The N,N-Dimethyl-p-phenylenediamine dihydrochloride, with the CAS registry number 536-46-9, is also known as p-Dimethylaminoaniline dihydrochloride. It belongs to the product categories of Intermediates of Dyes and Pigments; API Intermediates. Its EINECS registry number is 218-146-0. This chemical's molecular formula is C8H12N2·2ClH and molecular weight is 209.12. What's more, its systematic name is called N,N-Dimethyl-1,4-benzenediamine dihydrochloride. It should be stored in a cool, dry and well-ventilated place. This chemical can be used as intermediates of dyes and pigments.
Physical properties about N,N-Dimethyl-p-phenylenediamine dihydrochloride are: (1)ACD/LogP: 0.745; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.98; (7)ACD/KOC (pH 5.5): 7.17; (8)ACD/KOC (pH 7.4): 55.29; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 88.6 °C; (14)Enthalpy of Vaporization: 49.98 kJ/mol; (15)Boiling Point: 262 °C at 760 mmHg; (16)Vapour Pressure: 0.0112 mmHg at 25 °C.
Preparation of N,N-Dimethyl-p-phenylenediamine dihydrochloride: this chemical can be prepared by dimethylaniline with hydrochloric acid. This reaction needs reagent Zn and solvent sodium nitrite.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It is toxic by inhalation, in contact with skin and if swallowed. It may cause sensitisation by skin contact. Therefore, you should wear suitable protective clothing and gloves. In case of accident or if you feel unwell you should seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.Nc1ccc(N(C)C)cc1
(2) InChI: InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H
(3) InChIKey: IAEDWDXMFDKWFU-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | National Technical Information Service. Vol. AD404-218, |
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