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98-07-7

98-07-7 structural image
Product Name: Benzotrichloride
Formula: C7H5Cl3
Synonyms: (Trichloromethyl)benzene;Benzotrichloride
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CHEMICAL AND PHYSICAL PROPERTIES

Physical 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.
Color/Form CLEAR, COLORLESS TO YELLOWISH LIQUID
Odor PENETRATING
Boiling Point 429.4 °F at 760 mmHg (EPA, 1998)
Melting Point 23 °F (EPA, 1998)
Flash Point 260 °F (EPA, 1998)
Solubility Decomposes (NTP, 1992)
Density 1.3756 at 68 °F (EPA, 1998) - Denser than water; will sink
Vapor Density 6.77 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1 to 10 mmHg at 114.44 to 189.68 °F (EPA, 1998)
LogP log Kow= 2.92
Stability/Shelf Life UNSTABLE; HYDROLYZES IN PRESENCE OF MOISTURE, FORMING BENZOIC AND HYDROCHLORIC ACIDS.
Autoignition Temperature 412 °F (211 °C)
Viscosity Dynamic viscosity = 2.40 mPa.s @ 20 °C
Heat of Combustion 3684 kJ/mol @ constant pressure
Heat of Vaporization 12,168.6 G CAL/G MOLE
Surface Tension 38.03 mN/m at 20 °C
Refractive Index INDEX OF REFRACTION: 1.55789 AT 20 °C/D
Kovats Retention Index 1187.4 1200 1211 1204.6
Other Experimental Properties CONVERSION FACTOR: 1 PPM= 0.125 MG/CU M
Chemical Classes Solvents -> Chlorinated Aromatics

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H350:Carcinogenicity
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 195.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 0
Exact Mass 193.945683 g/mol
Monoisotopic Mass 193.945683 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 99.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

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.

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