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Home> Encyclopedia > Hot Product Listed 2   > 2(1H)-Pyridinimine,1-methyl-, hydriodide (1:1)
70865-29-1 structure

2(1H)-Pyridinimine,1-methyl-, hydriodide (1:1)

CAS No.:70865-29-1
EINECS(EC#): 244-255-8
Molecular Weight:667.3675
Molecular Formula:C24H16N2O4S (isomer)
Names and Identifiers
Synonyms

16503P 2(1H)-Pyridinimine,1-methyl-, monohydriodide (8CI,9CI) 2-amino-1-methylpyridin-1-ium iodide 2-Amino-1-methylpyridinium iodide 2-Aminopyridine methiodide 2-Aminopyridinium iodomethylate AKOS001033946 DTXSID30219906 MCULE-2743273539 MOLPORT-000-653-577 NE56842 N-Methyl-2-aminopyridinium iodide NSC 66686 nsc66686 nsc-66686

Inchi
InChI=1/C18H16Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-5,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2
Canonical Smiles
CCN1C(=O)C(=C(C(=NNC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])C1=O)C)C(=O)N.[Na+].[Na+]
Isomers Smiles
CCN1C(=O)C(=C(/C(=N/NC2=C(C=C(C(=C2)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])S
(=O)(=O)[O-])/C1=O)C)C(=O)N.[Na+].[Na+]
Properties
Density
1.375
Boiling Point
276.9°Cat760mmHg
Flash Point
291.2 °C
Safety and Handling
Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 525mg/kg (525mg/kg)   Eksperimentalna Meditsina i Morfologiya. Vol. 18, Pg. 98, 1979.
rat LD50 subcutaneous 1863mg/kg (1863mg/kg)   Eksperimentalna Meditsina i Morfologiya. Vol. 18, Pg. 98, 1979.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P264 Wash ... thoroughly after handling.

Response

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

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.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:667.3675g/mol
  • Molecular Formula:C24H16N2O4S
  • Exact Mass:665.94976
  • Monoisotopic Mass:665.94976
  • Complexity:1260
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:11
  • Topological Polar Surface Area:287
  • Heavy Atom Count:41
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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Recommended Suppliers
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  • Tel:86-571-87243911 87046883 56822187
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