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Home> Hot Product Listed S   > Simeton
673-04-1 structure

Simeton

Iupac Name:2-N,4-N-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CAS No.:673-04-1
EINECS(EC#): 211-601-4
Molecular Weight:197.242
Molecular Formula:C8H15N5O (isomer)
Names and Identifiers
Synonyms

1,3,5-triazine-2,4-diamine, n,n'-diethyl-6-methoxy- 1,3,5-Triazine-2,4-diamine,N,N'-diethyl-6-methoxy- 1,3,5-triazine-2,4-diamine,n2,n4-diethyl-6-methoxy- 1,5-triazine-2,4-diamine, n,n'-diethyl-6-methoxy- 2,4-Bis(ethylamino)-6-methoxy-s-triazin 2,4-bis(ethylamino)-6-methoxy-s-triazine 2,4-bis(ethylamino)-6-methoxytriazine 2,4-diamine-n,n'-diethyl-6-methoxytriazine 2-methoxy-4,6-bis(ethylamino)-1,3,5-triazine 2-methoxy-4,6-bis(ethylamino)-s-triazine 2-n,4-n-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine 33286-EP2311815A1 387DQL493M 4,6-bis(ethylamino)-2-methoxy-s-triazine 4CH-023214 AC1L2029 ai3-60367 AJ-28510 AK161703 AKOS006277599 bis(ethylamino)-2-methoxy-s-triazine bis(ethylamino)-6-methoxy-s-triazine brn 0011608 caswell no. 094a CHEBI:30264 CJ-26337 CS0061 DTXSID9042388 einecs 211-601-4 epa pesticide chemical code 294200 FH-0070 FT-0693671 g-30044 geigy 30,044 gesadural HKAMKLBXTLTVCN-UHFFFAOYSA-N LS-155131 methoxy simazine methoxy-4,6-bis(ethylamino)-s-triazine mfcd01311011 MOLPORT-006-112-243 n,n'-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine n2,n4-diethyl-6-methoxy-1,3,5-triazine-2,4-diamine nsc 163050 nsc163050 nsc-163050 pimeton SCHEMBL136258 simatone simeton [bsi] simeton, pestanal(r), analytical standard simetone ST24048743 s-triazine, 2,4-bis(ethylamino)-6-methoxy- s-triazine,4-bis(ethylamino)-6-methoxy- unii-387dql493m wln: t6n cn enj bo1 dm2 fm2 ZINC1635500

Inchi
InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
InChkey
HKAMKLBXTLTVCN-UHFFFAOYSA-N
Canonical Smiles
CCNC1=NC(=NC(=N1)OC)NCC
Properties
Density
1.195
Melting Point
92~94
Boiling Point
346.7°C at 760 mmHg
Refractive Index
1.589
Flash Point
无意义
Safety and Handling
Safety Statements
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Safety
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Transport
61898 
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:197.242g/mol
  • Molecular Formula:C8H15N5O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:197.128
  • Monoisotopic Mass:197.128
  • Complexity:143
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:72A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzoAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAQAAAAAADBAAYDEAbIFAAg AAAAJAAAAAkAAIABAIAIAACACAAACAAAAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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