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Home> Hot Product Listed P   > Piperazine,1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-
30544-47-9 structure

Piperazine,1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)-

Iupac Name:2-(2-hydroxyethoxy)ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CAS No.:30544-47-9
Molecular Weight:369.33503
Molecular Formula:C20H44O2P2 (isomer)
Names and Identifiers
Synonyms

1-methyl-4-(5-phenyl-[1,3,4]thiadiazol-2-yl)-piperazine 1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)piperazine 2-(4-methylpiperazin-1-yl)-5-phenyl-1,3,4-thiadiazole 2-(4-methylpiperazino)-5-phenyl-1,3,4-thiadiazole AC1LT2LU AKOS005223906 AMBTOS803321 BAS 13120659 brn 1135092 DTXSID60206420 HE355353 LS-112958 MOLPORT-002-025-900 piperazine, 1-methyl-4-(5-phenyl-1,3,4-thiadiazol-2-yl)- ZINC5242722

Inchi
InChI=1/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2
Canonical Smiles
C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F
Properties
Boiling Point
423.7°C at 760 mmHg
Refractive Index
1.552
Safety and Handling
Safety Statements
Poison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic by subcutaneous routes. Experimental teratogenic and reproductive effects. Used as an anti-inflammatory agent. When heated to decomposition it emits very toxic fumes of F− and NOx. See also FLUORIDES.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

Response

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

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

P330 Rinse mouth.

P391 Collect spillage.

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:369.33503g/mol
  • Molecular Formula:C20H44O2P2
  • XLogP3-AA:4.7
  • Exact Mass:369.118793
  • Monoisotopic Mass:369.118793
  • Complexity:433
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:67.8
  • Heavy Atom Count:26
  • 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
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