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Benzenamine,4-(triphenylmethyl)-

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Name

Benzenamine,4-(triphenylmethyl)-

EINECS 245-346-5
CAS No. 22948-06-7 Density 1.125 g/cm3
PSA 26.02000 LogP 6.23270
Solubility Insoluble in water. Melting Point 255-257 °C(lit.)
Formula C25H21N Boiling Point 483.1 °C at 760 mmHg
Molecular Weight 335.448 Flash Point 256.5 °C
Transport Information N/A Appearance WHITE TO GRAY TO TAN POWDER
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 22948-06-7 (N-(TRIPHENYLMETHYL)ANILINE) Hazard Symbols IrritantXi
Synonyms

p-Tritylaniline;

Article Data 17

Benzenamine,4-(triphenylmethyl)- 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 %.



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 %.



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.

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