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Home> Hot Product Listed D   > Disiloxane,1,1,3,3-tetramethyl-1,3-bis(phenylmethyl)-
50-41-9 structure

Disiloxane,1,1,3,3-tetramethyl-1,3-bis(phenylmethyl)-

Iupac Name:2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CAS No.:50-41-9
Molecular Weight:598.08
Molecular Formula:C12H12BR2CL5O2-7 (isomer)
Names and Identifiers
Synonyms

[dimethyl(phenylmethyl)silyl]oxy-dimethyl-(phenylmethyl)silane 1,1,3,3-tetramethyl-1,3-bis(phenylmethyl)-disiloxan 1,1,3,3-tetramethyl-1,3-bis(phenylmethyl)disiloxane 1,1,3,3-tetramethyl-1,3-bis(phenylmethyl)propanedisiloxane 1,3-dibenzyl-1,1,3,3-tetramethyldisiloxane 1,3-dibenzyltetramethyldisiloxane 1,3-DIBENZYLTETRAMETHYLDISILOXANE 97% AC1L2M8X AC1Q55KF AKOS024338918 benzyl[(benzyldimethylsilyl)oxy]dimethylsilane benzyl-[benzyl(dimethyl)silyl]oxy-dimethylsilane benzyl-[benzyl(dimethyl)silyl]oxy-dimethyl-silane BIDD:ER0398 C14252 CHEBI:34058 CTK4D8467 disiloxane, 1,1,3,3-tetramethyl-1,3-bis(phenylmethyl)- Disiloxane,1,1,3,3-tetramethyl-1,3-bis(phenylmethyl)- Disiloxane,1,3-dibenzyl-1,1,3,3-tetramethyl- (7CI) DTXSID3022538 einecs 217-391-0 JOZICAJUSHUZLD-UHFFFAOYSA-N K06003D71E LS-195320 MCULE-8268742498 mfcd00053509 SCHEMBL5388447 unii-k06003d71e ZINC169818981

Inchi
InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChkey
PYTMYKVIJXPNBD-OQKDUQJOSA-N
Canonical Smiles
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Isomers Smiles
CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC
(=O)O)(C(=O)O)O
Properties
Density
1.35
Melting Point
116.5-118°C
Safety and Handling
Risk Statements
60-63
Safety Statements
53-36/37-45
Reach Info
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:598.08g/mol
  • Molecular Formula:C12H12BR2CL5O2-7
  • Compound Is Canonicalized:True
  • Exact Mass:597.213
  • Monoisotopic Mass:597.213
  • Complexity:708
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:145A^2
  • Heavy Atom Count:42
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB+PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHgIACAAADEbhmAYyDoMABgCI AiDSCAICCAAgIAAIiAFOCogPJjaFMRqDeCCl4BGZqAfL5uAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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