1836-77-7
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 |
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SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.