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Home> Hot Product Listed F   > F3398-0077
33956-49-9 structure

F3398-0077

CAS No.:33956-49-9
Molecular Weight:182.30248
Molecular Formula:C22H21N3O3S2 (isomer)
Names and Identifiers
Synonyms

AKOS021695184 MCULE-2983797427 MOLPORT-009-705-833 n-(3-chloro-4-methylphenyl)-2-(4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2(1h)-yl)acetamide n-(3-chloro-4-methylphenyl)-2-[4-(3,5-dimethylphenoxy)-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1h)-yl]acetamide ZINC35425388

Inchi
InChI=1/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
Canonical Smiles
CC=CC=CCCCCCCCO
Isomers Smiles
C/C=C/C=C/CCCCCCCO
Properties
Melting Point
30-32 °C
Refractive Index
1.473
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 33956-49-9 EC: F3398-0077 ·ECHA C&L Inventory for CAS: CAS: 33956-49-9 EC: F3398-0077
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

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

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P273 Avoid release to the environment.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P391 Collect spillage.

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:182.30248g/mol
  • Molecular Formula:C22H21N3O3S2
  • Exact Mass:182.167065
  • Monoisotopic Mass:182.167065
  • Complexity:136
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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