CAS 108-45-2 m-Phenylenediamine - Materials / Alfa Chemistry

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m-Phenylenediamine

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Catalog Number

ACM108452-1

CAS Number

108-45-2

Product Name

m-Phenylenediamine

Structure

Category

Polymers

Description

1,3-phenylenediamine appears as colorless or white colored needles that turn red or purple in air. Melting point 64-66 C. Density 1.14 g / cm³. Flash point 280 F. May irritate skin and eyes. Toxic by skin absorption, inhalation or ingestion. Used in aramid fiber manufacture, as a polymer additive, dye manufacturing, as a laboratory reagent, and in photography.;DryPowder; OtherSolid; PelletsLargeCrystals, Liquid;WHITE CRYSTALS. TURNS RED ON EXPOSURE TO AIR.;Colorless or white colored needles that turn red or purple in air.

IUPAC Name

benzene-1,3-diamine

Molecular Weight

108.14g/mol

Molecular Formula

C6H8N2;C6H4(NH2)2;C6H8N2

Canonical SMILES

C1=CC(=CC(=C1)N)N

InChI

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

InChI Key

WZCQRUWWHSTZEM-UHFFFAOYSA-N

Boiling Point

540 to 543 °F at 760 mm Hg (NTP, 1992);285.0 °C;284-287 °C;284-287 °C;540-543°F

Melting Point

145 to 147 °F (NTP, 1992);63.5 °C;62-63 °C;62-63 °C;145-147°F

Flash Point

280 °F (NTP, 1992);187 °C c.c.;280°F

Density

1.0696 at 136 °F (NTP, 1992);1.0096 g/cu m at 58 °C;1.14 g/cm³;1.0696 at 136°F

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);2.20 M;SOL IN WATER, METHANOL, ETHANOL, CHLOROFORM, ACETONE, DIMETHYLFORMAMIDE, METHYL ETHYL KETONE, DIOXANE; SLIGHTLY SOL IN ETHER, CARBON TETRACHLORIDE, ISOPROPANOL, DIBUTYL PHTHALATE. VERY SLIGHTLY SOL IN BENZENE, TOLUENE, XYLENE, BUTANOL.;In water, 2.38X10+5 mg/l at 20 deg;Solubility in water: soluble

Color/Form

WHITE CRYSTALS BECOMING RED ON EXPOSURE TO AIR;Colorless needles;RHOMBIC CRYSTALS FROM ALCOHOL;COLORLESS RHOMBIC NEEDLES;Dark oxidation products /are/ present in compound exposed to moist air.

Complexity

64.9

Covalently-Bonded Unit Count

EC Number

203-584-7;208-790-0

Exact Mass

108.068748g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1302

Log P

-0.33 (LogP);log Kow = -0.33;-0.33

MeSH Entry Terms

1,3-diaminobenzene;1,3-phenylenediamine;3-phenylenediamine;m-phenylenediamine;meta-phenylenediamine

Monoisotopic Mass

108.068748g/mol

NSC Number

4776

Other Experimental

DIPOLE MOMENT 1.79;Specific gravity = 1.07 at 58/4 °C;Density = 1.139

Refractive Index

INDEX OF REFRACTION: 1.6339 AT 58 °C/D

Rotatable Bond Count

RTECS Number

SS7700000

Stability

UNSTABLE IN AIR

UNII

OE624J2447

UN Number

1673;1673;1673

Vapor Density

3.7 (NTP, 1992) (Relative to Air);Relative vapor density (air = 1): 3.7;3.7

Vapor Pressure

1 mm Hg at 211.6 °F ; 0.0018 mm Hg at 77° F (NTP, 1992);0.00 mmHg;1 MM HG @ 99.8 °C;Vapor pressure, Pa at 99.8 °C: 133;1 mmHg at 211.6°F, 0.0018 mmHg at 77°F

XLogP3

-0.3

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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