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1836-77-7

1836-77-7 structural image
Product Name: 4-Cyanotetrahydropyran
Formula: C12H6Cl3NO3
Synonyms: 1,3,5-Trichloro-2-(4-nitrophenoxy)benzene;4-Nitrophenyl 2,4,6-trichlorophenyl ether
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 2277.8 2317.9 2342

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Environment
GHS09
GHS Hazard Statements H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 318.5 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 316.941326 g/mol
Monoisotopic Mass 316.941326 g/mol
Topological Polar Surface Area 55 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 306
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

Chlornitrofen is an aromatic ether, a member of chlorobenzenes and a C-nitro compound. It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a herbicide.