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Home> Hot Product Listed F   > F5091-0683
762240-92-6 structure

F5091-0683

Iupac Name:3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CAS No.:762240-92-6
Molecular Weight:228.6
Molecular Formula:C9H8BRNO (isomer)
Names and Identifiers
Synonyms

AKOS024496698 MCULE-2397181891 MOLPORT-005-297-011 n-(1-(1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methyl-1h-pyrazol-5-yl)-2-phenoxypropanamide

Inchi
InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H
InChkey
AQCSCRYRCRORET-UHFFFAOYSA-N
Canonical Smiles
C1CN2C(=NN=C2C(F)(F)F)CN1.Cl
Properties
Melting Point
236-246°C
Safety and Handling
Risk Statements
25
Safety Statements
45
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
F.I.S. Fabbrica Italiana Sintetici S.p.a. 2012
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:228.6g/mol
  • Molecular Formula:C9H8BRNO
  • Compound Is Canonicalized:True
  • Exact Mass:228.039
  • Monoisotopic Mass:228.039
  • Complexity:195
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:42.7A^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:2
  • CACTVS Substructure Key Fingerprint: AAADccBjgYAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgBgAAAHQAYAAAAAADBAxQBEAfMEAAi AAIgJAAQgAsAAKAVQIAYAACASAAACAAQAAAAGAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-21-61124658
  • Fax:86-21-61294103
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