Chemical Property of Simazine
Chemical Property:
- Appearance/Colour:White powder
- Vapor Pressure:1.53E-05mmHg at 25°C
- Melting Point:225 °C
- Refractive Index:1.622
- Boiling Point:365.8 °C at 760 mmHg
- PKA:2.71±0.10(Predicted)
- Flash Point:175 °C
- PSA：62.73000
- Density:1.302 g/cm3
- LogP:1.53460
- Storage Temp.:APPROX 4°C
- Water Solubility.:0.0005 g/100 mL
- XLogP3:2.2
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:5
- Rotatable Bond Count:4
- Exact Mass:201.0781231
- Heavy Atom Count:13
- Complexity:131
- Transport DOT Label:Class 9
- Purity/Quality:
-
97% *data from raw suppliers
Simazine *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn,
N
- Hazard Codes:Xn;N,N,Xn,T,F
- Statements:
40-50/53-39/23/24/25-23/24/25-11-36-22
- Safety Statements:
36/37-46-60-61-45-26-16-7
- MSDS Files:
-
SDS file from LookChem
Total 1 MSDS from other Authors
Useful:
- Chemical Classes:Pesticides -> Herbicides, Triazine
- Canonical SMILES:CCNC1=NC(=NC(=N1)Cl)NCC
- Inhalation Risk:Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.
- Effects of Long Term Exposure:Repeated or prolonged contact with skin may cause dermatitis.
-
Uses
Simazine acts by inhibiting photosynthesis. It is an active ingredient in Aquazine, Cekusan, Gesatop, Primatol/S, Princep, Simades, and Simanex. This herbicide is used primarily on fruit and maize and at industrial and aquatic sites, including near swimming pools and cooling towers. It typically is found as an 80% wettable powder or a 90% granule.
S-triazine herbicide. It is easily adsorbed on the surface by soil to form a poisonous soil layer, which can kill the roots of shallow-rootedness weeds seedling. The effect on perennial or deep rooted weeds with deep roots is poor. It is used to prevent annual or biennial broadleaf and most monocotyledonous weeds which are propagated by seeds for corn, sugarcane, sorghum, tea, rubber, orchard and nursery. It has obvious inhibiting effects on perennial weeds that are propagated by rhizomes or roots. It can be used as a sterilant herbicide for forest firebreaks, railroad bed lines, courtyards, storage areas in warehouse, tank farms, woodyards and so on by increasing the dose. Suggested use: corn 30 to 60g/100m2 (summer corn 15 to 30g/100m2), sorghum 30 to 66g/100 m2, sugarcane 22.5 to 30g/100 m2, tea 22.5 to 37.5g/100 m2, rubber 45 to 67.6g/100 m2, orchard 45 to 75g/100 m2, nursery garden 1 to 2g per square meter. It is added into water for the suspension for to spray on the soil surface. Selective preemergence systemic herbicide used to control many broad-leaved weeds
and annual grasses in deep-rooted fruit and vegetable crops. Simazine is a preemergence herbicide used to control
broadleaf and grassy weeds. It is also used as a soil sterilant.
Principal crops involved include maize, citrus, and deciduous
fruit. Simazine is also used in aquatic weed control. Xenoestrogens are used widely in a number of cosmetic products
such as plasticizers, perfume fixatives, and solvents (e.g.,
dibutyl phthalate); and industrial chemicals and pollutants
such as insecticides (e.g., methoxychlor, DDT, and DDE),
epoxy resins, polycarbonate (e.g., bisphenol A), other plastics
(e.g., butyl benzyl phthalate (BBP)), and herbicides (e.g.,
simazine). Compounds in this group exhibit a broad molecular
and structural diversity, often mimicking the activities of
naturally occurring hormones, since they are recognized by the
hormone’s cognate receptor protein. Many compounds in this
group of chemicals have been classified as environmental
EDCs, defined by the US Environmental Protection Agency
(EPA) as “an exogenous agent that interfere with synthesis,
secretion, transport, metabolism, binding action, or elimination
of natural blood-borne hormones that are present in the
body and are responsible for homeostasis, reproduction and
developmental processes.” However, not all EDCs are classified
as xenoestrogens.
Although relative binding affinities (RBAs) of a number of
compounds exhibiting xenoestrogenic activities, it should be noted that the values appearing here and
in the reports listed under Further Reading are highly dependent
on the type of ER-based assay used and the concentration
of the compound tested. In addition, caution should be exercised
in interpreting the results from assays performed in vitro
compared to effects observed in vivo. Duration of exposure and dose in vivo, which are likely influenced by the lipophilic
properties of many of the agents, should be considered in
health risk assessment.
In summary, the body of experimental and epidemiological
evidence suggesting that many substances in the environment
may disrupt human health continues to expand to cover a wide
range of exposures. Of greatest concern are the effects of
transgenerational exposure to unrecognized agents, which may
be present in foodstuffs, drinking water, and other consumables,
including medications and cosmetics. Using hormone
receptor-based technology and highly purified preparations of
EDCs as standards, there is an opportunity to improve exposure
and risk assessment for environmental estrogen mimics, as
well as the quantitative analysis of their occurrence in the
environment. However, discussions continue regarding the
relationships between assessment in vitro of xenoestrogen
activities and their effects in vivo resulting in a risk to health.
-
Description
While compounds exhibiting estrogen mimicry are structurally
diverse, they share common properties such as retention in
body fat deposits (highly lipophilic), ability to cross the
placental barrier, transport in blood usually unbound to
specialized serum proteins (e.g., steroid hormone binding
globulin, SHBG/TeBG), and their affinity for the estrogenreceptor
protein. If the environmental compound impersonates
estrogen sufficiently, it associates with the estrogen-receptor
protein and either disrupts the action of the native hormone or
communicates activities similar to estrogen (i.e., antagonistic or
agonistic activities). Association between a xenoestrogen and
the estrogen receptor (ER), characterized by a wide range of
affinities, is reversible and saturable. No metabolism of the ligand occurs when it is bound to the receptor protein. In
addition to the phenotypic expression of gender, estrogens and
their mimics may influence development and physiological
processes in many organs of the body, particularly the reproductive
tract, as well as the central nervous system and skeleton.
It is obvious that fragile, biological events occurring during
ovulation, pregnancy, fetal development, and lactation could
easily be influenced by xenoestrogens with endocrine disruptor
compound (EDC) activities, which mimic naturally occurring
hormones.
With a variety of sensitive, rapid assays, xenoestrogens now
may be detected and activities assessed by ER proteins. The
range of techniques available includes both cell-free and
whole-cell-based assays:
1. Rat uterine cytosol preparations containing ERs (a cell-free
assay using radiolabeled ligand);
2. Recombinant human ER proteins produced by a bacteria,
yeast, or baculovirus-infected insect cell system (cell-free
assays using radiolabeled ligand);
3. A yeast cell system containing recombinant human ER and
a reporter gene (yeast whole-cell assay);
4. The LUMI-CELL ER transcriptional activation assay
(BG1Luc ER TA, a mammalian whole-cell assay); and
5. MCF7 cell proliferation assay (E-SCREEN assay) and modifications
of this method (mammalian whole-cell assay).
Additionally, certain investigations are focused on differential
recognition of EDCs by ER isoforms separated by highperformance
liquid chromatography.
