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Home> Hot Product Listed 5   > 5-({4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
1185-81-5 structure

5-({4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-thioxo-1,3-thiazolidin-4-one

Iupac Name:dibutyl-bis(dodecylsulfanyl)stannane
CAS No.:1185-81-5
Molecular Weight:635.726
Molecular Formula:CCLF2NO (isomer)
Names and Identifiers
Synonyms

5-[[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one ac1mfldy DTXSID30387598 MCULE-1604830253

Inchi
InChI=1S/2C12H26S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-4-2;/h2*13H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
InChkey
FFGHLLOLFQHABK-UHFFFAOYSA-L
Canonical Smiles
CCCCCCCCCCCCS[Sn](CCCC)(CCCC)SCCCCCCCCCCCC
Properties
Melting Point
-10℃
Vapour
0.00861mmHg at 25°C
Refractive Index
1.4992
Safety and Handling
Risk Statements
26-36/37/39
Safety Statements
23/24/25
Transport
2788
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  
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Evonik Materials Netherlands B.V. - OR 2011
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Germ cell mutagenicity, Category 2

Reproductive toxicity, Category 1B

Specific target organ toxicity – repeated exposure, 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

Danger

Hazard statement(s)

H312 Harmful in contact with skin

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H341 Suspected of causing genetic defects

H360 May damage fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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

P273 Avoid release to the environment.

Response

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

P312 Call a POISON CENTER/doctor/…if you feel unwell.

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

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

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

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

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:635.726g/mol
  • Molecular Formula:CCLF2NO
  • Compound Is Canonicalized:True
  • Exact Mass:636.378
  • Monoisotopic Mass:636.378
  • Complexity:352
  • Rotatable Bond Count:30
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:50.6A^2
  • Heavy Atom Count:35
  • 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: AAADcfB8AABgAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAQAAAAACACEQACCAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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