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Home> Hot Product Listed M   > MS-0975
1668-54-8 structure

MS-0975

Iupac Name:4-methoxy-1,3,5-triazin-2-amine
CAS No.:1668-54-8
Molecular Weight:140.14300
Molecular Formula:C19H12CL2N4OS (isomer)
Names and Identifiers
Synonyms

[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone {4-[(2-nitrophenyl)sulfonyl]piperazino}[3-(trifluoromethyl)phenyl]methanone 1-(2-nitrobenzenesulfonyl)-4-[3-(trifluoromethyl)benzoyl]piperazine AC1MWSJ0 AKOS005107525 KS-00003N0R MCULE-6438225127 MOLPORT-002-886-334 sr-01000309821 SR-01000309821-1 ZINC3131400

Inchi
InChI=1S/C4H6N4O/c1-9-4-7-2-6-3(5)8-4/h2H,1H3,(H2,5,6,7,8)
InChkey
NROXQTDIDGVYHK-UHFFFAOYSA-N
Canonical Smiles
COC1=NC=NC(=N1)N
Properties
Melting Point
258-261ºC
Vapour
5.75E-05mmHg at 25°C
Refractive Index
1.563
HS Code
2933699090
Safety and Handling
Risk Statements
R22; R36/37/38
Safety Statements
S26; S36; S37/39
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

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:140.14300g/mol
  • Molecular Formula:C19H12CL2N4OS
  • Compound Is Canonicalized:True
  • Exact Mass:126.054
  • Monoisotopic Mass:126.054
  • Complexity:88.6
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:73.9A^2
  • Heavy Atom Count:9
  • 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: AAADcYBjoAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAFgAQAAAAAAAAAAYHEAZIFAAg AAABJAAAAAkQAIABQAAIAACACAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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