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| CAS No.: | 93-05-0 |
|---|---|
| Name: | N,N-Diethyl-1,4-phenylenediamine |
| Molecular Structure: | |
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| Formula: | C10H16N2 |
| Molecular Weight: | 164.25 |
| Synonyms: | 1,4-Benzenediamine,N,N-diethyl- (9CI);p-Phenylenediamine, N,N-diethyl- (8CI);4-(Diethylamino)aniline;4-(Diethylamino)phenylamine;4-(N,N-Diethylamino)aniline;4-Amino-N,N-diethylaniline;N,N-Diethyl-1,4-benzenediamine;N,N-Diethyl-1,4-phenylenediamine;N,N-Diethyl-4-aminoaniline;N,N-Diethyl-p-phenylenediamine;NSC 147488;PPD 89;p-(Diethylamino)aniline;p-Amino-N,N-diethylaniline; |
| EINECS: | 202-214-1 |
| Density: | 1.009 g/cm3 |
| Melting Point: | 19-21 °C(lit.) |
| Boiling Point: | 261 °C at 760 mmHg |
| Flash Point: | 108.9 °C |
| Solubility: | Insoluble in water |
| Appearance: | yellow to brown solid or liquid |
| Hazard Symbols: |
 T
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| Risk Codes: | 25-34 |
| Safety: | 26-36-45 |
| Transport Information: | UN 2922 8/PG 2 |
| PSA: | 29.26000 |
| LogP: | 2.69620 |
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Specification
The 1,4-Benzenediamine,N1,N1-diethyl-, with the CAS registry number 93-05-0, is also known as 4-(N,N-Diethylamino)aniline. It belongs to the product categories of Intermediates of Dyes and Pigments; Amines. Its EINECS number is 202-214-1. This chemical's molecular formula is C10H16N2 and molecular weight is 164.25. What's more, its systematic name is N,N-diethylbenzene-1,4-diamine. Its classification codes are: (1)Human Data; (2)Mutation data; (3)Skin / Eye Irritant. It can be used as dye intermediate, source of diazonium compd in diazo copying process. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of 1,4-Benzenediamine,N1,N1-diethyl- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.32; (6)ACD/KOC (pH 5.5): 1.29; (7)ACD/KOC (pH 7.4): 38.14; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.26 Å2; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 54.06 cm3; (14)Molar Volume: 162.7 cm3; (15)Polarizability: 21.43×10-24cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.009 g/cm3; (18)Flash Point: 108.9 °C; (19)Enthalpy of Vaporization: 49.87 kJ/mol; (20)Boiling Point: 261 °C at 760 mmHg; (21)Vapour Pressure: 0.0118 mmHg at 25°C.
Preparation of 1,4-Benzenediamine,N1,N1-diethyl-: this chemical can be prepared by N,N-diethyl-4-nitroso-aniline at the temperature of 20 °C. This reaction will need reagents Al, KOH and solvent methanol with the reaction time of 15 min. It is a reaction of reduction/reductive coupling. The yield is about 67%.
Uses of 1,4-Benzenediamine,N1,N1-diethyl-: it can be used to produce 2-[(4-diethylaminophenyl)iminomethyl]phenol. It will need solvent methanol with the reaction time of 10 min. The yield is about 98%.
![1,4-Benzenediamine,N1,N1-diethyl- can be used to produce 2-[(4-diethylaminophenyl)iminomethyl]phenol](/UserFilesUpload/Uses of 1,4-Benzenediamine,N1,N1-diethyl-.jpeg)
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: CCN(CC)c1ccc(N)cc1
(2)Std. InChI: InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
(3)Std. InChIKey: QNGVNLMMEQUVQK-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 300mg/kg (300mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. |
| dog | LDLo | intravenous | 70mg/kg (70mg/kg) | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. | |
| guinea pig | LDLo | subcutaneous | 200mg/kg (200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. |
| human | TDLo | skin | 73ug/kg (0.073mg/kg) | BLOOD: HEMORRHAGE SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER TOPICAL EXPOSURE" | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. |
| mouse | LD50 | oral | 200mg/kg (200mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS. |
| mouse | LDLo | intraperitoneal | 25mg/kg (25mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS. |
| rabbit | LDLo | oral | 450mg/kg (450mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. |
| rabbit | LDLo | skin | 125mg/kg (125mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. |
| rabbit | LDLo | subcutaneous | 250mg/kg (250mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. |
| rat | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FOOD INTAKE (ANIMAL) | National Technical Information Service. Vol. OTS. |
| rat | LD50 | oral | > 200mg/kg (200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS. |
| rat | LDLo | subcutaneous | 100mg/kg (100mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA | Journal of Industrial Hygiene. Vol. 4, Pg. 386, 1923. |