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Home> Hot Product Listed F   > F5835-0303
14634-93-6 structure

F5835-0303

CAS No.:14634-93-6
Molecular Weight:458.0338
Molecular Formula:C12H19NO3S (isomer)
Names and Identifiers
Synonyms

AKOS024521879 MCULE-4498920967 methyl 4-((3-(1h-pyrazol-3-yl)phenyl)carbamoyl)benzoate MOLPORT-009-745-075 sr-01000925386 SR-01000925386-1 VU0523403-1 ZINC36763223

Inchi
InChI=1/2C9H11NS2.Zn/c2*1-2-10(9(11)12)8-6-4-3-5-7-8;/h2*3-7H,2H2,1H3,(H,11,12);/q;;+2/p-2/rC18H20N2S4Zn/c1-3-19(15-11-7-5-8-12-15)17(21)23-25-24-18(22)20(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
Canonical Smiles
CCN(C1=CC=CC=C1)C(=S)[S-].CCN(C1=CC=CC=C1)C(=S)[S-].[Zn+2]
Properties
Melting Point
206-208ºC
Safety and Handling
Safety Statements
S22;S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 14634-93-6 EC: F5835-0303 ·ECHA C&L Inventory for CAS: CAS: 14634-93-6 EC: F5835-0303
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P273 Avoid release to the environment.

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

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:458.0338g/mol
  • Molecular Formula:C12H19NO3S
  • Exact Mass:455.980078
  • Monoisotopic Mass:455.980078
  • Complexity:347
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:72.7
  • Heavy Atom Count:25
  • 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:3
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