Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed P   > Phosphorothioictriamide,N,N',N''-tris[2-(3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)ethyl]-,tr...
1744-22-5 structure

Phosphorothioictriamide,N,N',N''-tris[2-(3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl)ethyl]-,trisodium salt (9CI)

Iupac Name:6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CAS No.:1744-22-5
Molecular Weight:234.196
Molecular Formula:(C2H4O)NC18H36O4S.NA (isomer)
Names and Identifiers
Synonyms

AC1MIH2K DTXSID60233251 HE395910 LS-108976 n,n',n''-tris(beta-(6-methyluracil-3)ethyl)triamide of thiophosphoric acid phosphorothioic triamide, n,n',n''-tris(2-(2,6-dioxo-4-methyl-1,2,3,6-tetrahydro-1-pyrimidinyl)ethyl)-, trisodium salt trisodium bis[2-(4-methyl-2,6-dioxo-3h-pyrimidin-1-yl)ethylazanidyl]ph osphinothioyl-[2-(4-methyl-2,6-dioxo-3h-pyrimidin-1-yl)ethyl]azanide trisodium bis[2-(6-methyl-2,4-dioxo-1h-pyrimidin-3-yl)ethylazanidyl]phosphinothioyl-[2-(6-methyl-2,4-dioxo-1h-pyrimidin-3-yl)ethyl]azanide

Inchi
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChkey
FTALBRSUTCGOEG-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
Properties
Melting Point
116-118°C
Boiling Point
188.8°Cat760mmHg
Vapour
0.00145mmHg at 25°C
HS Code
29342000
Safety and Handling
Risk Statements
R25
Safety Statements
S45
HazardClass
IRRITANT
PackingGroup
II
Transport
UN 2811
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:234.196g/mol
  • Molecular Formula:(C2H4O)NC18H36O4S.NA
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.6
  • Exact Mass:234.007
  • Monoisotopic Mass:234.007
  • Complexity:238
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:76.4A^2
  • Heavy Atom Count:15
  • 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: AAADcYBzIYBAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHwQQAAAACAyB1hAx17JIFAik ASRiZACD+KlhKjlImDw2bJiMJqLksZuEMChkwBNI6CewQAAAAEAABAAAAQAAgAAIAAACAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-111111111111
  • Fax:86-27-11111111111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
 
<