p-Phenylenediamine - Materials / Alfa Chemistry

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p-Phenylenediamine

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Catalog Number

ACMA00017160

Product Name

p-Phenylenediamine

Category

Polymers

Description

P-phenylenediamine appears as a white to purple crystalline solid (melting point 234 F) that turns purple to black in air. Flash point 309 F. Toxic by skin absorption, inhalation or ingestion. Used for production of aramid fiber, antioxidants, as a laboratory reagent, in photographic developing, and as a dye for hair and furs.;Liquid; PelletsLargeCrystals;WHITE-TO-SLIGHTLY-RED CRYSTALS. TURNS DARK ON EXPOSURE TO AIR.;White to slightly red, crystalline solid.;White to slightly red, crystalline solid.

IUPAC Name

benzene-1,4-diamine

Molecular Weight

108.14g/mol

Molecular Formula

C6H8N2;C6H4(NH2)2;C6H8N2

Canonical SMILES

C1=CC(=CC=C1N)N

InChI

InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2

InChI Key

CBCKQZAAMUWICA-UHFFFAOYSA-N

Boiling Point

513 °F at 760 mm Hg (NTP, 1992);267.0 °C;267 °C;267 °C;513°F;513°F

Melting Point

284 °F (NTP, 1992);146.0 °C;145-147 °C;139-147 °C;295°F;295°F

Flash Point

311 °F (NTP, 1992);156 °C c.c.;312°F;312°F

Density

Greater than 1 (water= 1);Relative density (water = 1): 1.1

Solubility

4 % at 75° F (NIOSH, 2016);0.34 M;SOL IN 100 PARTS COLD WATER; SOL IN ALCOHOL, CHLOROFORM, ETHER;SOL IN HOT BENZENE;Water solubility= 38,000 ppm;Solubility in water, g/100ml at 25 °C: 4;(75°F): 4%

Color/Form

WHITE TO SLIGHTLY RED CRYSTALS;WHITE PLATES FROM BENZENE, ETHER

Complexity

54.9

Covalently-Bonded Unit Count

EC Number

203-404-7

Exact Mass

108.068748g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0805

Log P

-0.3 (LogP);log Kow= -0.25

MeSH Entry Terms

1,4-benzenediamine;1,4-phenyldiamine;1,4-phenylenediamine;4-phenylenediamine;4-phenylenediamine bromide, ion(1+);4-phenylenediamine dihydrochloride;4-phenylenediamine diperchlorate;4-phenylenediamine ion (1+);4-phenylenediamine monohydrobromide;4-phenylenediamine monohydrochloride;4-phenylenediamine monohydroiodide;4-phenylenediamine monooxalate;4-phenylenediamine monoperchlorate;4-phenylenediamine monosulfate;4-phenylenediamine sulfate;black henna;p-phenylenediamine;para-phenylenediamine;paraphenylenediamine;Ursol-D

Monoisotopic Mass

108.068748g/mol

NSC Number

4777

Other Experimental

BLACK COLOR DEVELOPED WITH 3% HYDROGEN PEROXIDE, BROWN WITH 5% IRON CHLORIDE SOLN, DARKENS ON EXPOSURE TO AIR.

Rotatable Bond Count

RTECS Number

SS8050000

Stability

ON STANDING IN AIR, OXIDIZES TO PURPLE AND BLACK /COLOR/.

UNII