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| CAS No.: | 621-95-4 |
|---|---|
| Name: | 4,4'-Ethylenedianiline |
| Molecular Structure: | |
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| Formula: | C14H16N2 |
| Molecular Weight: | 212.294 |
| Synonyms: | a,a'-Bi-p-toluidine (7CI,8CI);1,2-Bis(4-aminophenyl)ethane;1,2-Bis(p-aminophenyl)ethane;1,2-Di(4-aminophenyl)ethane;4,4'-Diamino-1,2-diphenylethane;4,4'-Diaminobibenzyl;4,4'-Diaminodibenzyl;4,4'-Diaminodiphenylethane;4,4'-Dibenzyldiamine;4,4'-Ethylenebisaniline;4,4'-Ethylenedianiline;NSC44062;NSC 580;NSC 60033;p,p'-Diaminobibenzyl;p,p'-Diaminodibenzyl; |
| EINECS: | 210-716-7 |
| Density: | 1.132 g/cm3 |
| Melting Point: | 133-137 °C(lit.) |
| Boiling Point: | 381.9 °C at 760 mmHg |
| Flash Point: | 220.6 °C |
| Appearance: | Beige powder |
| Hazard Symbols: |
 Xn;  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36/37 |
| PSA: | 52.04000 |
| LogP: | 3.79860 |
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Specification
The Benzenamine,4,4'-(1,2-ethanediyl)bis-, with CAS registry number 621-95-4, has the systematic name of 4,4'-ethane-1,2-diyldianiline. This chemical is a kind of beige powder. Its classification code is Mutation data. And the chemical formula of this chemical is C14H16N2. What's more, its EINECS is 210-716-7.
Physical properties of Benzenamine,4,4'-(1,2-ethanediyl)bis-: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 16.22; (6)ACD/BCF (pH 7.4): 24.55; (7)ACD/KOC (pH 5.5): 226.96; (8)ACD/KOC (pH 7.4): 343.44; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 68.76 cm3; (15)Molar Volume: 187.5 cm3; (16)Polarizability: 27.25×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 220.6 °C; (20)Enthalpy of Vaporization: 63.02 kJ/mol; (21)Boiling Point: 381.9 °C at 760 mmHg; (22)Vapour Pressure: 4.91E-06 mmHg at 25°C.
Preparation: this chemical can be prepared by bis-(4-nitro-phenyl)-ethane. This reaction will need reagents HCO2H, Zn. The yield is about 95%.
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When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4,4'-(1,2-ethanediyl)bis- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(cc1)CCc2ccc(N)cc2
(2)InChI: InChI=1/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2
(3)InChIKey: UHNUHZHQLCGZDA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2
(5)Std. InChIKey: UHNUHZHQLCGZDA-UHFFFAOYSA-N