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Home> Hot Product Listed Z   > ZINC16845415
301-10-0 structure

ZINC16845415

Iupac Name:2-ethylhexanoate;tin(2+)
CAS No.:301-10-0
Molecular Weight:405.122
Molecular Formula:C22H22CLNO2 (isomer)
Names and Identifiers
Synonyms

2-(6-(tert-butylthio)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2(3h)-yl)-n-(2-(trifluoromethyl)phenyl)acetamide 2-[6-(tert-butylthio)-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3h)-yl]-n-[2-(trifluoromethyl)phenyl]acetamide AKOS004977737 F3382-5230 MCULE-6136252661 MOLPORT-009-703-577 VU0615338-1

Inchi
InChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChkey
KSBAEPSJVUENNK-UHFFFAOYSA-L
Canonical Smiles
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
Properties
Melting Point
<-20oC
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36/37/39
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
DOW BENELUX B.V. 2016
DOW BENELUX B.V. OR-3 2016
Evonik Nutrition & Care GmbH 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1B

Serious eye damage, Category 1

Reproductive toxicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H317 May cause an allergic skin reaction

H318 Causes serious eye damage

H361 Suspected of damaging fertility or the unborn child

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

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

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

P201 Obtain special instructions before use.

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

P273 Avoid release to the environment.

Response

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

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

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

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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:405.122g/mol
  • Molecular Formula:C22H22CLNO2
  • Compound Is Canonicalized:True
  • Exact Mass:406.117
  • Monoisotopic Mass:406.117
  • Complexity:93.9
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCAgAACCAAAAAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-311-80800737
  • Fax:86-0311-89830448
  • Tel:+86-571-57153510
  • Fax:
  • Tel:86-21-13482627603
  • Fax:
  • Tel:86-571-86465881,86-571-87157530,86-571-88025800
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