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Home> Hot Product Listed T   > Thiazole,5-ethyl-2,5-dihydro-2,2-dimethyl-
2322-77-2 structure

Thiazole,5-ethyl-2,5-dihydro-2,2-dimethyl-

Iupac Name:(8R,9S,13S,14S)-13-ethyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CAS No.:2322-77-2
EINECS(EC#): 227-757-1
Molecular Weight:300.43500
Molecular Formula:C19H22CL2N2O3 (isomer)
Names and Identifiers
Synonyms

2,2-dimethyl-5-ethyl-3-thiazoline 3-thiazoline, 2,2-dimethyl-5-ethyl- 5-ethyl-2,2-dimethyl-2,5-dihydrothiazole 5-ethyl-2,2-dimethyl-5h-1,3-thiazole AC1MI9X8 ACMC-1C6UK CTK4A5965 HE158993 LS-151872 thiazole, 2,5-dihydro-2,2-dimethyl-5-ethyl-

Inchi
InChI=1S/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3/t16-,17-,18+,20+/m1/s1
InChkey
PQMRKLSVUBRLLQ-XSYGEPLQSA-N
Canonical Smiles
CCC12CCC3C(C1CCC2=O)CCC4=C3CC=C(C4)OC
Isomers Smiles
CC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CC=C(C4)OC
Properties
Melting Point
≥170ºC
Boiling Point
°Cat760mmHg
Vapour
3.21E-08mmHg at 25°C
Refractive Index
1.551
Flash Point
135.7°C
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 INDIVIDUAL 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Bayer AG 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

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

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

Response

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:300.43500g/mol
  • Molecular Formula:C19H22CL2N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:300.209
  • Monoisotopic Mass:300.209
  • Complexity:556
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:4
  • 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: AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwQIAAAAAAAGCAAAAAGgAAAAAADwSAgAICAAAABACI AqBSAAAACAAgIAAACAEAAAgAABIAAQAAAAAEwAAIAAOIyOCPgAAAAAAAAACAAAQAACAAAAAACAAA AA==
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