CAS 119-93-7 3,3'-dimethyl-[1,1'-biphenyl]-4,4'- Diamine (O-Tolidine)

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Organic Light-Emitting Diode (OLED) Materials

3,3'-dimethyl-[1,1'-biphenyl]-4,4'- Diamine (O-Tolidine)

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Catalog Number

ACM119937-3

Product Name

3,3'-dimethyl-[1,1'-biphenyl]-4,4'- Diamine (O-Tolidine)

Structure

CAS

119-93-7

Category

Organic Light-Emitting Diode (OLED) Materials

Description

3,3'-dimethylbenzidine appears as white to reddish crystals or crystalline powder or a light tan powder. (NTP, 1992);COLOURLESS CRYSTALS OR RED-TO-BROWN FLAKES.;White to reddish crystals or powder.;White to reddish crystals or powder. [Note: Darkens on exposure to air. Often used in paste or wet cake form. Used as a basis for many dyes.]

IUPAC Name

4-(4-amino-3-methylphenyl)-2-methylaniline

Molecular Weight

212.29g/mol

Molecular Formula

C14H16N2;C14H16N2

Canonical SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N

InChI

InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3

InChI Key

NUIURNJTPRWVAP-UHFFFAOYSA-N

Boiling Point

392 °F at 760 mm Hg (NTP, 1992);339.0 °C;300 °C;300 °C;392°F;572°F

Melting Point

264 to 268 °F (NTP, 1992);131.5 °C;129-131 °C;131-132 °C;264°F;264°F

Flash Point

244 °C;471°F

Density

1 (NTP, 1992);1.234 g/cu cm;1.2 g/cm³;1

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);0.01 M;In water, 1,300 mg/L at 25 °C;Soluble in alcohol, ether, dilute acids;Solubility in water, g/100ml at 25 °C: 0.13 (poor);0.1%

Color/Form

Colorless; in technical grades also brownish flakes;White to reddish crystals or powder [Note: Darkens on exposure to air]

Complexity

205

Covalently-Bonded Unit Count

EC Number

204-358-0

Exact Mass

212.131349g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0960

Log P

2.34 (LogP);log Kow = 2.34;2.34

MeSH Entry Terms

2-tolidine;2-tolidine dihydrochloride;2-tolidine dihydrofluoride;2-tolidine hexahydrofluoride;2-tolidine perchlorate;2-tolidine perchlorate (1-);2-tolidine tetrahydrofluoride;3,3'-dimethylbenzidine;o-tolidine;tolidine blue

Monoisotopic Mass

212.131349g/mol

Other Experimental

MP: 264 °F;Barely becomes discolored upon exposure to air. It is chemically resistant to water.;Henry's Law constant = 6.3X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.9X10-10 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

DD1225000

UNII

63HLO2IV6K

UN Number

3077

Vapor Pressure

1.0X10-6 mm Hg at 25 °C (est);1x10-6 mmHg (est)

XLogP3

2.3

MSDS