CAS 108-45-2 1,3-Phenylenediamine - Materials / Alfa Chemistry

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Monomers

1,3-Phenylenediamine

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Catalog Number

ACM108452

Product Name

1,3-Phenylenediamine

Structure

CAS

108-45-2

Category

Monomers

Synonyms

Benzene-1,3-diamine;meta-phenylenediamine (MPD);m-phenylenediamine;1,3-Benzenediamine;

Description

m-phenylenediamine, also called 1,3-diaminobenzene, is an organic compound with the formula C6H4(NH2)2. It is an isomer of o-phenylenediamine and p-phenylenediamine. It is a colourless solid.

IUPAC Name

benzene-1,3-diamine

Molecular Weight

108.14g/mol

Molecular Formula

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

63-65ºC

Flash Point

175ºC

Density

1.139

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

Appearance

Gray to white crystal Melting

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

Hazard Class

6.1

Heavy Atom Count

ICSC Number