Benzene Chloride - Materials / Alfa Chemistry

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Benzene Chloride

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Catalog Number

ACMA00016839

Product Name

Benzene Chloride

Category

Polymers

Description

Chlorobenzene appears as a colorless to clear, yellowish liquid with a sweet almond-like odor. Flash point 84°F. Practically insoluble in water and somewhat denser than water (9.2 lb / gal). Vapors heavier than air. Used to make pesticides, dyes, and other chemicals.;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Colorless liquid with an almond-like odor.;Colorless liquid with an almond-like odor.

IUPAC Name

chlorobenzene

Molecular Weight

112.55g/mol

Molecular Formula

C6H5Cl;C6H5Cl;C6H5Cl

Canonical SMILES

C1=CC=C(C=C1)Cl

InChI

InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

InChI Key

MVPPADPHJFYWMZ-UHFFFAOYSA-N

Boiling Point

270 °F at 760 mm Hg (NTP, 1992);131.7 °C;131.6 °C;132 °C;270°F;270°F

Melting Point

-49 °F (NTP, 1992);-45.2 °C;-45.2 °C;-45.2°C;-45 °C;-50°F;-50°F

Flash Point

75 °F (NTP, 1992);82 °F (Closed Cup) 28 °C;97 °F (open cup);27 °C c.c.;75°F;82°F

Density

1.11 at 68 °F (USCG, 1999);1.1058 g/cu cm at 20 °C;Relative density (water = 1): 1.11;1.11;1.11

Solubility

less than 1 mg/mL at 68° F (NTP, 1992);0.00 M;In water, 499 mg/L at 25 °C;In water, 0.05 g/100g at 20 °C;Miscible in ethanol, ethyl ether; very soluble in benzene, carbon tetrachloride;Freely soluble in chloroform;Very soluble in carbon disulfide;In water, 498 mg/L at 25 °C;0.498 mg/mL at 25 °C;Solubility in water, g/100ml at 20 °C: 0.05;0.05%

Color/Form

Colorless liquid;Clear volatile liquid

Complexity

46.1

Corrosivity

Liquid chlorobenzene will attack some forms of plastics, rubber, and coatings

Covalently-Bonded Unit Count

EC Number

203-628-5;221-482-0;270-127-6;610-564-5

Exact Mass

112.007978g/mol

Formal Charge

Heat of Vaporization

40.97 kJ/mol at 25 deg

Heavy Atom Count

ICSC Number

0642

Log P

2.84 (LogP);log Kow = 2.84;2.84;2.18/2.84

MeSH Entry Terms

chlorobenzene;monochlorobenzene

Monoisotopic Mass

112.007978g/mol

NSC Number

8433

Odor

Faint, not unpleasant odor;Almond-like odor;Mild amine odor;Mild aromatic;Characteristic, penetrating odor.;Weak, benzene-like odor.

Other Experimental

Very refractive liquid;Percent in caturated air: 1.55 (25 °C); Density of saturated of air: 1.05 (Air = 1);EQUIVALENCIES IN AIR: 1 MG/L = 217 PPM AND 1 PPM = 4.60 MG/CU M AT 25 °C, 760 MM HG;Heat of fusion: 20.40 cal/g;Saturated liquid density = 69.080 lb/cu ft at 70 °C;Liquid heat capacity = 0.321 Btu/lb-F at 70 °C;Liquid thermal conductivity = 0.869 Btu-in/hr-sq ft-F at 70 °C;Saturated vapor pressure = 0.195 lb/sq in at 70 °C;Ideal gas heat capacity = 0.207 Btu/lb ft at 75 °C;Partition coefficients at 37 °C for chlorobenzene into blood= 30.8; into oil= 3,760.;Chlorobenzene has a good solvency for fats, oils, resins, polymers, binders, rubber, and chlorinated rubber.;Critical density = 0.365 g/cu cm; Heat of fusion = 84.9 J/g; Heat capacity = 1.338 J/g K at 20 °C; Dielectric constant = 5.641 at 20 °C;Henry's Law constant = 3.11X10-3 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 7.70X10-13 cu cm/molec-sec at 25 °C

Refractive Index

Index of refraction: 1.5241 at 20 °C/D

Rotatable Bond Count

RTECS Number

CZ0175000

UNII

K18102WN1G

UN Number

1134;1134;1134;1134;1134

Vapor Density

3.88 (NTP, 1992) (Relative to Air);3.88 (Air = 1);Relative vapor density (air = 1): 3.88;3.88

Vapor Pressure