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Simazine

Simazine structure

CAS No:
122-34-9
Formula:
C7H12ClN5
Chemical Name:
Simazine
Synonyms:
1,3,5-Triazine-2,4-diamine,6-chloro-N2,N4-diethyl-;s-Triazine,2-chloro-4,6-bis(ethylamino)-;1,3,5-Triazine-2,4-diamine,6-chloro-N,N′-diethyl-;6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine;W 6658;G 27692;Geigy 27692;Aktinit S;2,4-Bis(ethylamino)-6-chloro-s-triazine;CDT;CET;2-Chloro-4,6-bis(ethylamino)-s-triazine;Herboxy;Hungazin DT;Simazin;Simazine;H 1803;Simazine 80W;Triazine A 384;2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine;Herbex (pesticide);Tafazine 50W;Premazine;Radocon;Tafazine;Gesatop;Herbazin 50;Simazine 50;Herbazin;Radokor;Princep;Bitemol S 50;CAT (pesticide);Taphazine;Aquazine;Symazine;CAT;Gesatop 50;Herbex;Yrodazin;Simanex;4,6-Bis(ethylamino)-2-chlorotriazine;2-Chloro-4,6-bis(ethylamino)-sym-triazine;Herbatoxol S;Simatsin-neste;Gesatop D;Azotop;Batazina FLO;Simazin S 50;Simatox;2,4-Di(ethylamino)-6-chloro-1,3,5-triazine;NSC 25999;2-Chloro-4,6-di(ethylamino)triazine;6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine;Sim-Trol 4L;119603-94-0;11141-20-1;12764-71-5;39291-64-0
Categories:
Agrochemicals > Herbicides

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Simazine Basic Attributes

Molecular Weight：

201.66

Exact Mass：

201.66

BRN：

10895

EC Number：

204-535-2

HScode：

2933699011

Characteristics

PSA：

62.73000

XLogP3：

1.19

Appearance：

White Crystals

Density：

1.33 g/cm³ @ Temp: 22 °C

Melting Point：

225-227 °C (decomp)

Boiling Point：

268.9±23.0 °C at 760 mmHg

Flash Point：

100 °C

Refractive Index：

1.617

Water Solubility：

H2O: 0.0005 g/100 mL

Storage Conditions：

APPROX 4°C

Vapor Pressure：

6.1e-09 mm Hg at 68 °F (NTP, 1992)

Toxicity：

Oral-Rat LD50: 971 mg/kg; Oral-Mouse LD50: 5000 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxides and chloride gases; poisoning reaction: weight loss, reduced red blood cell count

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3077

hazard class code：

40-50/53-39/23/24/25-23/24/25-11-36-22

safety instructions：

36/37-46-60-61-45-26-16-7

RTECS Number：

XY5250000

Marks：

Xn;N,N,Xn,T,F

Storage features：

Warehouse ventilated, low temperature and dry

Stability/Shelf Life：

VERY STABLE OVER SEVERAL YR OF SHELF LIFE, & ONLY SLIGHTLY SENSITIVE TO NATURAL LIGHT & EXTREME TEMPERATURES WHICH WOULD OCCUR NORMALLY.

Precautionary statement(s)：

P273-P281-P305 + P351 + P338-P501

Hazard Statements：

H302-H319-H351-H410

Toxicity

Toxicity class：

moderately toxic

Simazine Use and Manufacturing

Methods of Manufacturing

Using water as the reaction medium, cyanuric chloride and ethylamine are mixed at about 0°C in the presence of an acid-binding agent, and then incubated at 70°C for 2 hours.

Uses

Herbicide.

Computed Properties

Molecular Weight:201.66
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:201.0781231
Monoisotopic Mass:201.0781231
Topological Polar Surface Area:62.7
Heavy Atom Count:13
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Cyanuric chloride

Ethylamine

Trichloroethylene

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