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| CAS No.: | 22948-06-7 |
|---|---|
| Name: | N-(TRIPHENYLMETHYL)ANILINE |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C25H21N |
| Molecular Weight: | 335.448 |
| Synonyms: | p-Tritylaniline; |
| EINECS: | 245-346-5 |
| Density: | 1.125 g/cm3 |
| Melting Point: | 255-257 °C(lit.) |
| Boiling Point: | 483.1 °C at 760 mmHg |
| Flash Point: | 256.5 °C |
| Solubility: | Insoluble in water. |
| Appearance: | WHITE TO GRAY TO TAN POWDER |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 26.02000 |
| LogP: | 6.23270 |
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Specification
The Benzenamine,4-(triphenylmethyl)-, with the CAS registry number of 22948-06-7, is also known as p-Tritylaniline. Its EINECS registry number is 245-346-5. This chemical's molecular formula is C25H21N and molecular weight is 335.44. What's more, its IUPAC name is 4-Tritylaniline. This chemical's classification code is Drug / Therapeutic Agent. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Benzenamine,4-(triphenylmethyl)- are: (1)ACD/LogP: 6.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.98; (4)ACD/LogD (pH 7.4): 6.03; (5)ACD/BCF (pH 5.5): 20252.4; (6)ACD/BCF (pH 7.4): 22420.73; (7)ACD/KOC (pH 5.5): 40873.21; (8)ACD/KOC (pH 7.4): 45249.31; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 108.17 cm3; (15)Molar Volume: 298.1 cm3; (16)Surface Tension: 47.9 dyne/cm; (17)Density: 1.125 g/cm3; (18)Flash Point: 256.5 °C; (19)Enthalpy of Vaporization: 74.81 kJ/mol; (20)Boiling Point: 483.1 °C at 760 mmHg; (21)Vapour Pressure: 1.73E-09 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Triphenylmethanol with Aniline; hydrochloride. The reaction needs reagents AcOH, H2SO4. The yield is about 65 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce (4-Iodo-phenyl)-triphenyl-methane. This reaction needs reagents NaNO2, HCl, KI. The yield is about 94 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccccc1)C(c2ccc(N)cc2)(c3ccccc3)c4ccccc4
(2) InChI: InChI=1/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2
(3) InChIKey: XYHDHXBLSLSXSR-UHFFFAOYAB
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 64, 1954. |