1,2,3-Trichlorobenzene - Materials / Alfa Chemistry

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1,2,3-Trichlorobenzene

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Catalog Number

ACMA00016750

Product Name

1,2,3-Trichlorobenzene

Category

Polymers

Description

1,2,3-trichlorobenzene appears as a white solid with a sharp chlorobenzene odor. Insoluble in water and denser than water. Hence sinks in water. Melting point 63-64°C (145-147°F).;WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.

IUPAC Name

1,2,3-trichlorobenzene

Molecular Weight

181.4g/mol

Molecular Formula

C6H3Cl3;C6H3Cl3

Canonical SMILES

C1=CC(=C(C(=C1)Cl)Cl)Cl

InChI

InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChI Key

RELMFMZEBKVZJC-UHFFFAOYSA-N

Boiling Point

424 to 426 °F at 760 mm Hg (NTP, 1992);218.5 °C;415 °F (213 °C);218.5 °C;218.5 °C

Melting Point

126.7 °F (NTP, 1992);53.5 °C;51.3 °C;53.5 °C

Flash Point

234.9 °F (NTP, 1992);112.7 °C (closed cup);112.7 °C c.c.

Density

1.69 at 77 °F (USCG, 1999);1.4533 g/cu cm at 25 °C;1.45 g/cm³

Solubility

Insoluble (NTP, 1992);9.92e-05 M;In water, 30 mg/L at 25 °C;Slightly soluble in ethanol; very soluble in ether and benzene;Sparingly sol in alcohol; freely sol in carbon disulfide;In water, 18 mg/L at 25 °C.;Solubility in water: very poor

Color/Form

Colorless liquid;Platelets from alcohol;White crystals

Complexity

84.3

Covalently-Bonded Unit Count

EC Number

201-757-1;234-413-4

Exact Mass

179.930033g/mol

Formal Charge

Heat of Vaporization

291 J/g at 100 °C; 271.7 J/g at 150 °C; 251.6 J/g at 200 °C

Heavy Atom Count

ICSC Number

1222

Log P

4.05 (LogP);log Kow = 4.05;4.05

MeSH Entry Terms

1,2,3-trichlorobenzene;trichlorobenzene

Monoisotopic Mass

179.930033g/mol

NSC Number

43432

Other Experimental

Enthalpy of fusion: 17.9 kJ/mol;Henry's Law constant = 1.25X10-3 atm-cu m/mol;Hydroxyl radical reaction rate constant = 2.8X10-13 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

DC2095000

UNII

NUR9777IK4

UN Number

2810;2321;3077

Vapor Density

6.2 (NTP, 1992) (Relative to Air);1.460 g/cu m;Relative vapor density (air = 1): 6.26

Vapor Pressure

1 mm Hg at 104 °F (NTP, 1992);0.21 mmHg;0.21 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: 17.3

Viscosity