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122-34-9
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???(??):
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Simazine
???(??):
CAT;CAT;CAT;DCT;SIMAZIN;Herbex;Radocon;Simanex;a2079;h1803
CBNumber:
CB3291467
???:
C7H12ClN5
??? ??:
201.66
MOL ??:
122-34-9.mol
MSDS ??:
SDS

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???
225°C
?? ?
329.54°C (rough estimate)
??
1.302
???
0Pa at 25℃
???
1.6110 (estimate)
???
100 °C
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Sealed in dry,2-8°C
???
DMF: slightly soluble,DMSO: slightly soluble
?? ?? (pKa)
2.71±0.10(Predicted)
??? ??
????
??
???
???
0.0005g/100mL
Merck
14,8533
BRN
10895
Henry's Law Constant
1.0×104 mol/(m3Pa) at 25℃, HSDB (2015)
?? ??
ACGIH TLV-TWA:0.5 mg/m3,Inhalable particulate matter
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??
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InChI
1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey
ODCWYMIRDDJXKW-UHFFFAOYSA-N
SMILES
CCNc1nc(Cl)nc(NCC)n1
LogP
2.18 at 20℃
????
1.49-1.75 at 20℃
CAS ??????
122-34-9(CAS DataBase Reference)
NIST
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-(122-34-9)
IARC
3 (Vol. 53, 73) 1999
EPA
Simazine (122-34-9)
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  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn;N,N,Xn,T,F
?? ???? ?? 40-50/53-39/23/24/25-23/24/25-11-36-22
????? 36/37-46-60-61-45-26-16-7
????(UN No.) 3077
WGK ?? 3
RTECS ?? XY5250000
TSCA TSCA listed
?? ?? 9
???? III
HS ?? 29336990
???? ??? 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
?? ?? ??? 122-34-9(Hazardous Substances Data)
?? LD50 orally in rats: 5000 mg/kg (Bailey, White)
???? ?? KE-05595
????(GHS): Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H351 ?? ??? ??? ??? (????? ?? ???? ???? ???? ??? ?? ????? ??? ???? ??) ??? ?? ?? 2 ?? P201, P202, P281, P308+P313, P405,P501
H410 ??? ??? ?? ????? ?? ??? ?? ????? ?? - ?? ?? 1 ?? P273, P391, P501
??????:
P202 ?? ?? ?? ??? ?? ???? ??? ???? ???.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P270 ? ??? ??? ??? ???, ???? ???? ???.
P273 ???? ???? ???.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P308+P313 ?? ?? ??? ???? ???? ??· ??? ????.
NFPA 704
1
0 0

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Simazine is a combustible, white crystalline solid. Practically odorless.Its solubility in methanol is 400mg/L, its solubility in water is 5mg/L, its solubility in petroleum ether is 2mg/L and it is slightly soluble in chloroform. It has the advantages of stable chemical property, but it is easily hydrolyzed under the strong acid or alkali conditions and at higher temperatures to produce inactive hydroxyl derivatives. No corrosion. Original medicine m.p.224℃.

??

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.

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Simazine is prepared by reacting two equivalents of ethylamine in the presence of an acid acceptor. It is stable in neutral and slightly basic or acidic media, but is hydrolyzed by stronger acids and bases especially at higher temperatures. Primary exposures occur during application, not during production, and include both inhalation and dermal components.

??

ChEBI: A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.

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White to off-white crystalline powder.

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Insoluble in water.

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Simazine is hydrolyzed by strong acids and alkalis .

????

Inconsistent data in the literature; oral LD50values in rats reported as 970 and 5000 mg/L,showing a wide difference; toxicity is of loworder.

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Literature sources indicate that Simazine is nonflammable.

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Pre-emergence herbicide, Algaecide: and ornamental crops, turf grass, orchards, and vineyards. At higher rates, it is used for non-selective weed control in industrial areas. Before 1992, simazine was used to control submerged weeds and algae in large aquariums, farm ponds, fish hatcheries, swimming pools, ornamental ponds, and cooling towers. Simazine is available in wettable powder, waterdispersible granule, liquid, and granular formulations. It may be soil-applied. Not approved for use in EU countries. A U.S. EPA restricted Use Pesticide (RUP) for all land uses because of its potential to contaminate ground water

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AKTINIT S®; ALCO® Simizine; AQUAZINE®; ATLAS SIMAZINE®; BATAZINA®; BITEMOL®; CALIBER®; CDT®; CEKUSAN®; CEKUZINA-S®; FRAMED®; G 27692®; GEIGY 27692®; GESARAN®; GESATOP®; GESATOP-50®; H 1803®; HARLEQUIN®; HERBAZIN® 500 BR; HERBAZIN® 50; HERBEX®; HERBOXY®; HUNGAZIN DT®; OXON ITALIA SIM-TROL®; PREMAZINE®; PRIMATEL S®; PRIMATOL S®; PRINCEP®; PRINCEP® 80W; SIMADEX®; SIMANEX®; SIMAZINE® 80W; SIMAZAT®; SIM-TROL®; TAFAZINE®; TAFAZINE® 50-W; TANZINE®; TAPHAZINE®; TOTAZINE®; TRIAZINE A 384®; W 6658®; WEEDEX®; ZEAPUR®

??? ??

A potential danger to those involved in the manufacture, formulation, and application of this preemergence herbicide. Pesticide not in use; TRI and/or IUR indicates importers or manufacturers are unlikely. Banned for use in the EU.

Carcinogenicity

No tumorigenic response was seen in mice treated orally at doses ranging from 75 to 215mg/kg. In a 2-year feeding study in rats, 100 ppm produced mammary tumors. Sarcomas at the injection sitewere produced in another study ofboth rats and mice. Simazinewas fedtoratsatdoselevelsequivalent to 0,0.5,5,and 50mg/kg for 2 years.Bodyweight and hematological changes were seen primarily at the highest dose. After 24 months at 50mg/kg, an increase in ovarian atrophy and Sertoli cell hyperplasia were seen. Increases in mammary gland tumors were seen in females at 50mg/kg.

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UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required. UN2763 Triazine pesticides, solid, toxic, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.

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Powder may form explosive mixture with air. Incompatible with strong oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.

??? ??

Strong acid or alkaline hydrolysis leads to complete degradation of simazine. However,large quantities of simazine should be incinerated in a unit operating @ 850℃ equipped with off-gas scrubbing equipment. In accordance with 40CFR165, follow recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.

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