CAS 90-41-5 2- Aminodiphenyl - Materials / Alfa Chemistry

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2- Aminodiphenyl

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Catalog Number

ACM90415

CAS Number

90-41-5

Product Name

2- Aminodiphenyl

Structure

Category

Organic Light-Emitting Diode (OLED) Materials

Description

2-aminobiphenyl appears as colorless or purplish crystals. (NTP, 1992)

IUPAC Name

2-phenylaniline

Molecular Weight

169.22g/mol

Molecular Formula

C12H11N

Canonical SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N

InChI

InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2

InChI Key

TWBPWBPGNQWFSJ-UHFFFAOYSA-N

Boiling Point

570 °F at 760 mm Hg (NTP, 1992);299.0 °C;299 °C

Melting Point

122 to 127 °F (NTP, 1992);51.0 °C;51 °C

Flash Point

greater than 235 °F (NTP, 1992)

Solubility

less than 0.1 mg/mL at 70° F (NTP, 1992);Sol in ethanol, ether, benzene; slightly sol in dimethylsulfoxide, petroleum ether;Insol in water

Application

2-Aminodiphenyl serves as a fundamental raw material in organic synthesis, notably contributing to the manufacturing processes of carbazole resin and synthetic rubber. This organic compound, which is an amine derivative of biphenyl with the formula C6H5C6H4NH2, typically appears as a colorless solid, though it may change to a colored form over time. While it exhibits solubility in alcohol, ether, and benzene, it is insoluble in water and can volatilize with water vapor, boasting a flash point above 110℃. Despite its practical applications, caution in handling is advised due to its mutagenic potency and role as a substrate for various UGTs (UDP-glucuronosyltransferases), including UGT1A4, UGT2B13, and UGT2B16. Additionally, palladacycles derived from 2-aminodiphenyl are well-regarded catalysts in cross-coupling reactions.

Color/Form

Leaflets (dilute alcohol);Colorless or purplish crystals

Complexity

149

Covalently-Bonded Unit Count

EC Number

201-990-9

Exact Mass

169.089149g/mol

Formal Charge

Heavy Atom Count

Log P

2.84 (LogP);log Kow = 2.84 @ pH 7

MeSH Entry Terms

2-aminobiphenyl;2-aminodiphenyl;o-aminobiphenyl;ortho-aminodiphenyl

Monoisotopic Mass

169.089149g/mol

NSC Number

7661

Other Experimental

IR: 18844 (Sadtler Research Laboratories Prism Collection) /Biphenyl, 3-amino/;UV: 6162 (Sadtler Research Laboratories Spectral Collection) /Biphenyl, 3-amino/;MASS: 749 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /Biphenyl, 3-amino/;Henry's Law constant = 1.5X10-7 atm-m cu/mol @ 25 °C /Estimated/;Hydroxyl radical reaction rate constant = 8.0X10-11 cu cm/molec-sec @ 25 °C /Estimated/

Rotatable Bond Count

UNII

8LQM58EBRY

Vapor Density

5.8 (NTP, 1992) (Relative to Air);5.8 (AIR= 1)

Vapor Pressure

1.2X10-4 mm Hg @ 25 °C /Estimated/

XLogP3

2.8

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