Benzotrichloride - Materials / Alfa Chemistry

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Benzotrichloride

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Catalog Number

ACMA00016843

Product Name

Benzotrichloride

Category

Polymers

Description

Benzotrichloride appears as a clear colorless to yellowish colored liquid with a penetrating odor. Denser than water and vapors are heavier than air. May be toxic by inhalation or ingestion. Burns skin, eyes, and mucous membranes. Insoluble in water. Used to make dyes and other chemicals.;COLOURLESS-TO-YELLOW FUMING OILY LIQUID WITH PUNGENT ODOUR.;A clear colorless to yellowish colored liquid with a penetrating odor. Denser than water and vapors are heavier than air. May be toxic by inhalation or ingestion. Burns skin, eyes, and mucous membranes. Insoluble in water. Used to make dyes and other chemicals.

IUPAC Name

trichloromethylbenzene

Molecular Weight

195.5g/mol

Molecular Formula

C7H5Cl3;C6H5CCl3;C7H5Cl3

Canonical SMILES

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

InChI

InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChI Key

XEMRAKSQROQPBR-UHFFFAOYSA-N

Boiling Point

429.4 °F at 760 mm Hg (EPA, 1998);221.0 °C;220.8 °C AT 760 MM HG; 129 °C AT 60 MM HG; 105 °C AT 25 MM HG;221 °C;429.4°F

Melting Point

23 °F (EPA, 1998);-5.0 °C;-5.0 °C;-5 °C;23°F

Flash Point

260 °F (EPA, 1998);260 °F (127 °C) (CLOSED CUP);> 247 °C (Cleveland open cup);108 °C c.c.;260°F

Density

1.3756 at 68 °F (EPA, 1998);1.3756 AT 20 °C/4 °C;Relative density (water = 1): 1.4;1.3756

Solubility

Decomposes (NTP, 1992);... Soluble in ... diethyl ether ... .;Water solubility = 53 mg/L at 5 °C;Solubility in water: reaction

Color/Form

CLEAR, COLORLESS TO YELLOWISH LIQUID;OILY LIQUID

Complexity

99.9

Covalently-Bonded Unit Count

EC Number

202-634-5;250-252-2

Exact Mass

193.945683g/mol

Formal Charge

Heat of Vaporization

12,168.6 G CAL/G MOLE

Heavy Atom Count

ICSC Number

0105

Log P

log Kow= 2.92;2.92

MeSH Entry Terms

benzotrichloride

Monoisotopic Mass

193.945683g/mol

NSC Number

14663

Odor

PENETRATING

Other Experimental

CONVERSION FACTOR: 1 PPM= 0.125 MG/CU M;Hydrolyzes in presence of moisture;Dielectric constant= 6.9 at 21 °C; dipole moment= 2.17 coulomb.meters at 20 °C in benzene.;Vapor pressure = 1.35 mm Hg @ 50 °C; 5.4 mm Hg @ 75 °C;Fumes in air.;Liquid molar volume = 0.142809 cu m/kmol

Refractive Index

INDEX OF REFRACTION: 1.55789 AT 20 °C/D

Rotatable Bond Count

RTECS Number

XT9275000

Stability

UNSTABLE; HYDROLYZES IN PRESENCE OF MOISTURE, FORMING BENZOIC AND HYDROCHLORIC ACIDS.

UNII

U62VHG99AM

UN Number

2226;2226;2226;2226

Vapor Density

6.77 (EPA, 1998) (Relative to Air);6.77 (AIR= 1);Relative vapor density (air = 1): 6.8;6.77

Vapor Pressure

1 to 10 mm Hg at 114.44 to 189.68 °F (EPA, 1998);0.41 mmHg;Vapor pressure = 0.4137 mm Hg at 25 °C;Vapor pressure, Pa at 20 °C: 20;1-10 mmHg at 114.44-189.68°F

Viscosity

Dynamic viscosity = 2.40 mPa.s @ 20 °C;1.7 mm2/s at 20 °C

XLogP3

3.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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