1,4-Dichlorobenzene - Materials / Alfa Chemistry

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1,4-Dichlorobenzene

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Catalog Number

ACMA00016763

Product Name

1,4-Dichlorobenzene

Category

Polymers

Description

P-dichlorobenzene appears as a white colored liquid with the odor of moth balls. Denser than water and insoluble in water. Flash point below 200°F. Used as a moth repellent, to make other chemicals, as a fumigant, and for many other uses.;OtherSolid; PelletsLargeCrystals;Solid;COLOURLESS-TO-WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.;Colorless or white crystalline solid with a mothball-like odor.;Colorless or white crystalline solid with a mothball-like odor. [insecticide]

IUPAC Name

1,4-dichlorobenzene

Molecular Weight

147g/mol

Molecular Formula

C6H4Cl2;C6H4Cl2

Canonical SMILES

C1=CC(=CC=C1Cl)Cl

InChI

InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H

InChI Key

OCJBOOLMMGQPQU-UHFFFAOYSA-N

Boiling Point

345 °F at 760 mm Hg (NTP, 1992);174.0 °C;173.9 °C;174 °C;345°F;345°F

Melting Point

127 °F (NTP, 1992);52.09 °C;53.1 °C;52.7°C;53 °C;128°F;128°F

Flash Point

150 °F (NTP, 1992);66.0 °C (150.8 °F) - closed cup;150 °F (66 °C) (closed cup);66 °C c.c.;150°F;150°F

Density

1.458 at 68 °F (USCG, 1999);1.2475 g/cu cm at 25 °C;1.2 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.01;1.458;1.25

Solubility

less than 1 mg/mL at 73° F (NTP, 1992);5.53e-04 M;In water, 81.3 mg/L at 25 °C;Practically insoluble in water;Soluble in chloroform, carbon disulfide, benzene, ether, alcohol;Miscible with ethanol, acetone, benzene; soluble in ethyl ether, chloroform;0.0813 mg/mL at 25 °C;Solubility in water, mg/l at 20 °C: 49 (practically insoluble);0.008%

Color/Form

White crystals;Volatile crystals;White crystals or leaflets;Colorless or white crystalline solid

Complexity

54.9

Corrosivity

Non-corrosive

Covalently-Bonded Unit Count

EC Number

203-400-5

Exact Mass

145.969006g/mol

Formal Charge

Heat of Vaporization

49.0 kJ/mol at 25 °C

Heavy Atom Count

ICSC Number

0037

Log P

3.44 (LogP);log Kow = 3.44;3.44;3.37

MeSH Entry Terms

1,4-dichlorobenzene;4-dichlorobenzene;p-dichlorobenzene;para-dichlorobenzene;paradichlorobenzene

Monoisotopic Mass

145.969006g/mol

NSC Number

36935

Odor

Distinctive aromatic odor ... becomes very strong at concentrations between 30 and 60 ppm;Strong penetrating odor;Mothball-like odor

Other Experimental

Non-staining;Conversion factors: 1 mg/L = 166.3 ppm, 1 ppm = 6.01 mg/cu m at 25 °C, 760 mm Hg;Percent in saturated air: 0.2 (25 °C);Density: 1.4581 at 20.5 °C/4 °C;Heat of fusion = 18.19 kJ/mol at 53.09 °C;Liquid thermal conductivity = 0.122 W/mK at 50 °C;Dielectric constant = 2.3943 at 328.2 K;Dipole moment: 0;Heat Capacity of Liquid = 1.188 J/g;Heat of Formation of Liquid= -38.0 kJ/mol;Heat of Fusion = 123.8 J/g;Crystals sublime at ordinary temperatures;Henry's Law constant = 2.41X10-3 atm-cu m/mol at 20 °C;Hydroxyl radical reaction rate constant = 3.2X10-13 cu cm/molc-sec at 25 °C

Rotatable Bond Count

RTECS Number

CZ4550000

Stability

Stable under recommended storage conditions.

UNII

D149TYB5MK

UN Number

3077;3077;3077

Vapor Density

5.08 (NTP, 1992) (Relative to Air);5.08 (Air = 1);Relative vapor density (air = 1): 5.08;5.08

Vapor Pressure