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Diallate

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Identification
Molecular formula
C10H17Cl3NOS
CAS number
2303-16-4
IUPAC name
S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate
State
State

The compound typically exists as a liquid at room temperature.

Melting point (Celsius)
-4.00
Melting point (Kelvin)
269.15
Boiling point (Celsius)
295.00
Boiling point (Kelvin)
568.15
General information
Molecular weight
290.67g/mol
Molar mass
290.6390g/mol
Density
1.1617g/cm3
Appearence

Diallate is a pale yellow to amber liquid. It usually has a characteristic odor which can be described as thiol-like.

Comment on solubility

Solubility of S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate

The solubility of S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate (C10H17Cl3NOS) can be influenced by a variety of factors due to its complex molecular structure and the presence of chlorine substituents. When considering its solubility properties, it's important to note the following:

  • Polarity: The presence of chlorine atoms typically enhances the polarity of the molecule, which can lead to increased solubility in polar solvents.
  • Solvent Interaction: This compound may exhibit greater solubility in organic solvents like acetone or ethanol, while showing limited solubility in water.
  • Functional Groups: The carbamate and thioether functional groups in its structure can interact with wavelengths of light and polar solvents differently, further affecting solubility.

As a general guideline:

  1. For organic solvents: Expect higher solubility due to compatibility with the organic composition.
  2. For aqueous solutions: Anticipate poor solubility owing to the limited interaction with water molecules.

In summary, the solubility characteristics of S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate showcase the complexities inherent in organic compounds. Understanding these properties is crucial for its application and handling in various chemical processes. Remember, “solubility is the key to enhancing chemical interactions,” and knowing these aspects can lead to more effective use of this compound in various fields.

Interesting facts

Interesting Facts About S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate

S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate is a fascinating chemical compound that has captured the interest of chemists and researchers working in various fields. Here are some interesting points about this compound:

  • Pesticidal Properties: This compound is primarily recognized for its role as a pesticide. Its specific structure gives it the ability to effectively target certain pests, making it an important tool in agricultural practices.
  • Mechanism of Action: The effectiveness of this compound is attributed to its ability to inhibit key enzymes in pest organisms, leading to disruption of their normal biological functions. This makes it a valuable asset in controlling agricultural pests.
  • Stereochemistry Significance: The presence of the trichloroallyl moiety introduces interesting stereochemistry, which can influence the biological activity of the compound. Understanding these configurations can lead to the development of more effective pest control agents.
  • Environmental Impact: As with many pesticides, there is ongoing research into the environmental impact of S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate. Assessing its degradation products and potential effects on non-target species is crucial for sustainable agricultural practices.
  • Versatility in Organic Synthesis: Beyond its application in pest control, this compound serves as an important intermediate in organic synthesis, allowing for the creation of other complex molecules.

Due to its unique properties and applications, the study of S-(2,3,3-trichloroallyl) N,N-diisopropylcarbamothioate offers valuable insights into both applied and theoretical chemistry realms. As stated by a leading researcher in agrochemicals, "The ability to manipulate molecular structure leads to innovative solutions in agriculture and environmental stewardship." This statement highlights the dual role of chemistry in advancing technology while considering ecological balance.

Synonyms
triallate
Tri-allate
2303-17-5
Avadex BW
Far-Go
Triallat
Dipthal
Triamyl
Tri-allate [BSI:ISO]
Tri-allate [ISO]
CCRIS 5383
Showdown
HSDB 1780
RCRA waste no. U389
Avadex BE
Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester
Diisopropyltrichloroallylthiocarbamate
EINECS 218-962-7
Far-Go/Avadex BW
NSC 379698
UNII-A9S097HS99
BRN 1875853
CP 23426
DTXSID5024344
A9S097HS99
2,3,3-Trichloroallyl diisopropylthiocarbamate
TRIALLATE [MI]
TRI-ALLATE [HSDB]
NSC-379698
2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
S-(2,3,3-Trichloro-2-propenyl) bis(1-methylethyl)carbamothioate
S-2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester
DTXCID804344
2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate
CHEBI:81978
S-(2,3,3-Trichloro-2-propenyl) bis(1-methylethyl)carbamothiote
Thiocarbamic acid, N-diisopropyl-, S-2,3,3-trichloroallyl ester
N-Diisopropylthiocarbamic acid S-2,3,3-trichloro-2-propenyl ester
S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
Bis(1-methylethyl)carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)ester
Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl)ester
2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat
Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester
Tri-allate 10 microg/mL in Cyclohexane
CP-23426
Tri-allate 100 microg/mL in Acetonitrile
Caswell No. 870A
bis(1-methylethyl)carbamothioic acid s-(2,3,3-trichloro-2-propenyl) ester
TRIALLATE, (SOLID)
TRIALLATE, [SOLID]
Triallat [German]
N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamate
S-(2,3,3-trichloroprop-2-en-1-yl) diisopropylthiocarbamate
Tri allate
N,N-bis(propan-2-yl)[(2,3,3-trichloroprop-2-en-1-yl)sulfanyl]formamide
S-(2,3,3-Trichloroallyl) N,N-diisopropylthiocarbamate
CAS-2303-17-5
EPA Pesticide Chemical Code 078802
2,3,3-Trichloro-2-propene-1-thiol diisopropylcarbamate
Triallic acid
N,N-bis(propan-2-yl)((2,3,3-trichloroprop-2-en-1-yl)sulfanyl)formamide
S-2,3,3-Trichloroallyl diisopropylthiocarbamate
S-(2,3,3-Trichloroallyl)diisopropylthiocarbamate
S-(2,3,3-Trichloroallyl) diisopropylthiocarbamate
S-2,3,3-Trichloroallyl-N,N-diisopropylthiolcarbamate
Spectrum_001889
2,3,3-Trichlorallyl-N,N-(diisopropyl)-thiocarbamat [German]
Diisopropylthiocarbamic acid S-(2,3,3-trichloroallyl) ester
N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat [German]
SpecPlus_000510
Spectrum2_001844
Spectrum3_000845
Spectrum4_000685
Spectrum5_002006
SCHEMBL62793
BSPBio_002429
KBioGR_001149
KBioSS_002419
Triallat, analytical standard
N,N-Diisopropyl-2,3,3-trichlorallyl-thiolcarbamat
DivK1c_006606
SPBio_001628
CHEMBL1884767
KBio1_001550
KBio2_002413
KBio2_004981
KBio2_007549
KBio3_001929
Tox21_201817
Tox21_300671
CCG-39382
NSC379698
Trichloroallyl diisopropylthiocarbamate
AKOS016011225
NCGC00168339-01
NCGC00168339-02
NCGC00168339-03
NCGC00168339-04
NCGC00254579-01
NCGC00259366-01
DA-78600
HY-119435
2,3,3Trichloroallyl diisopropylthiocarbamate
CS-0068360
NS00000710
Triallat, PESTANAL(R), analytical standard
N,NDiisopropyl2,3,3trichlorallylthiolcarbamat
2,3,3TrichlorallylN,N(diisopropyl)thiocarbamat
2,3,3Trichloroallyl N,Ndiisopropylthiocarbamate
C18813
S(2,3,3Trichloroallyl)diisopropylthiocarbamate
S(2,3,3Trichloroallyl) diisopropylthiocarbamate
S-2,3,3-trichloroallyl diisopropylcarbamothioate
S2,3,3Trichloroallyl N,Ndiisopropylthiocarbamate
S2,3,3TrichloroallylN,Ndiisopropylthiolcarbamate
2,3,3Trichloro2propene1thiol diisopropylcarbamate
Q904371
2,3,3-Trichloroallyl-N,N-diisopropyl-thiolcarbamate
2Propene1thiol, 2,3,3trichloro, diisopropylcarbamate
BRD-K64698045-001-02-2
2,3,3-Trichloro-2-propene-1-thiol, diisopropylcarbamate
S(2,3,3Trichloroallyl) diisopropylthiocarbamate (8CI)
S-(2,3,3-Trichloro-2-propenyl) diisopropylthiocarbamate
Diisopropylthiocarbamic acid S(2,3,3trichloroallyl) ester
N-Diisopropylthiocarbamic acid-S-2,3,3-trichloroallyl ester
S(2,3,3Trichloro2propenyl) bis(1methylethyl)carbamothioate
S(2,3,3Trichloro2propenyl) bis(1methylethyl)carbamothiote
S-(2,3,3-Trichloro-2-propenyl) diisopropylthiocarbamate #
Thiocarbamic acid, Ndiisopropyl, S2,3,3trichloroallyl ester
Carbamic acid, diisopropylthio, S(2,3,3trichloroallyl) ester
NDiisopropylthiocarbamic acid S2,3,3trichloro2propenyl ester
S-(2,3,3-trichloro-2-propenyl)bis(1-methylethyl)thiocarbamate
S(2,3,3Trichloro2propenyl) bis(1methylethyl)carbamothioate (9CI)
Bis(1methylethyl)carbamothioic acid, S(2,3,3trichloro2propenyl)ester
Carbamothioic acid, bis(1methylethyl), S(2,3,3trichloro2propenyl)ester
N,N-Bis(1-methylethyl)carbamothioic acid S-(2,3,3-trichloro-2-propen-1-yl) ester