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| CAS No.: | 129-73-7 |
|---|---|
| Name: | LEUCOMALACHITE GREEN |
| Article Data: | 70 |
| Molecular Structure: | |
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| Formula: | C23H26N2 |
| Molecular Weight: | 330.473 |
| Synonyms: | Aniline,4,4'-benzylidenebis[N,N-dimethyl- (6CI,7CI,8CI);4,4'-Benzylidenebis[N,N-dimethylaniline];4,4'-Bis(N,N-dimethylaminophenyl)phenylmethane;4,4'-Bis(dimethylamino)triphenylmethane;Bis(p-dimethylaminophenyl)phenylmethane;Bis[p-(N,N-dimethylamino)phenyl]phenylmethane;C.I. Basic Green 4, leuco base;Leucomalachite green;Malachite green leuco;Malachite green leuco base;NSC36379;p,p'-Benzylidenebis(N,N-dimethylaniline); |
| EINECS: | 204-961-9 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 100-102 °C |
| Boiling Point: | 475.4 °C at 760 mmHg |
| Flash Point: | 214.6 °C |
| Solubility: | Soluble in water (<0.1 mg/ml), chloroform, benzene, ethyl ether, ethanol and toluene. |
| Appearance: | white to light brown, light green or light blue |
| Hazard Symbols: |
 Xn;  Xi;  N
|
| Risk Codes: | 40-50/53-22-36/37/38 |
| Safety: | 61-60-36/37/39-27-26 |
| Transport Information: | UN 3077 |
| PSA: | 6.48000 |
| LogP: | 4.99880 |
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Specification
The Benzenamine,4,4'-(phenylmethylene)bis[N,N-dimethyl-, with CAS registry number 129-73-7, has the systematic name of 4,4'-(phenylmethanediyl)bis(N,N-dimethylaniline). This chemical is a kind of white to light brown, light green or light blue. And the chemical formula of this chemical is C23H26N2. What's more, its EINECS is 204-961-9.
Physical properties of Benzenamine,4,4'-(phenylmethylene)bis[N,N-dimethyl-: (1)ACD/LogP: 5.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.5; (4)ACD/LogD (pH 7.4): 5.9; (5)ACD/BCF (pH 5.5): 7160.35; (6)ACD/BCF (pH 7.4): 17878.39; (7)ACD/KOC (pH 5.5): 15345.84; (8)ACD/KOC (pH 7.4): 38316.47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 108.59 cm3; (15)Molar Volume: 308.6 cm3; (16)Polarizability: 43.05×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 214.6 °C; (20)Enthalpy of Vaporization: 73.89 kJ/mol; (21)Boiling Point: 475.4 °C at 760 mmHg; (22)Vapour Pressure: 3.33E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by benzaldehyde and N,N-dimethyl-aniline. This reaction will need reagents phosphorus oxychloride, alcohol.
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When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4,4'-(phenylmethylene)bis[N,N-dimethyl- irritates to eyes, respiratory system and skin. This chemical has limited evidence of a carcinogenic effect. And it may cause long-term adverse effects in the aquatic environment, so avoid release it to the environment. Refer to special instructions / safety data sheets. 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. After using, take off immediately all contaminated clothing. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)C(c2ccccc2)c3ccc(N(C)C)cc3)(C)C
(2)InChI: InChI=1/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3
(3)InChIKey: WZKXBGJNNCGHIC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3
(5)Std. InChIKey: WZKXBGJNNCGHIC-UHFFFAOYSA-N