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

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

MSDS

Download MSDS

COA