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5344-82-1

5344-82-1 structural image
Product Name: 1-(2-Chlorophenyl)-2-thiourea
Formula: C7H7ClN2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Thiourea, (2-chlorophenyl)- appears as needles or plates. Used as an herbicide. Not registered as a pesticide in the U.S. (EPA, 1998)
Color/Form NEEDLES OR PLATES
Melting Point 294.8 to 295.7 °F (EPA, 1998)
Solubility VERY SOL IN WATER; SLIGHTLY SOL IN AMMONIA
Vapor Pressure 0.00035 [mmHg]
LogP Estimated log Kow of 1.20.
Other Experimental Properties The Henry's Law Constant for 2-chlorophenylthiourea can be estimated to be less than 1X10-7 atm-cu m/mole at 25 °C.
Chemical Classes Nitrogen Compounds -> Thiourea Compounds

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H300:Acute toxicity,oral
Precautionary Statement Codes P330:Rinse mouth.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P302+P350:IF ON SKIN: Gently wash with plenty of soap and water.

COMPUTED DESCRIPTORS

Molecular Weight 186.66 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 186.0018471 g/mol
Monoisotopic Mass 186.0018471 g/mol
Topological Polar Surface Area 70.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 151
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

Thiourea, (2-chlorophenyl)- appears as needles or plates. Used as an herbicide. Not registered as a pesticide in the U.S. (EPA, 1998)