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Home> Hot Product Listed T   > Titanium(1+), (acetonitrile)chlorobis(h5-2,4-cyclopentadien-1-yl)-, (T-4)-tetrachloroferrate(1-)
70-18-8 structure

Titanium(1+), (acetonitrile)chlorobis(h5-2,4-cyclopentadien-1-yl)-, (T-4)-tetrachloroferrate(1-)

Iupac Name:(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-
yl]amino]-5-oxopentanoic acid
CAS No.:70-18-8
Molecular Weight:307.32348
Molecular Formula:C19H21FN2O3S (isomer)
Names and Identifiers
Synonyms

AC1L4T9V bis(cyclopentadienyl)acetonitrilechlorotitanium (iv) tetrachloroferrate (iii) CTK5H2081 OR377331 titanium(1+), (acetonitrile)chlorobis(eta5-2,4-cyclopentadien-1-yl)-, (t-4)-tetrachloroferrate(1-)

Inchi
InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Canonical Smiles
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Isomers Smiles
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
Properties
Density
1.637
Melting Point
182-192℃
Boiling Point
265.7 °C at 760 mmHg
Refractive Index
1.571
Flash Point
196.4°C
Alpha
-16.5 ° (C=2, H2O)
HS Code
29309070
Safety and Handling
Risk Statements
R68
Safety Statements
S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:307.32348g/mol
  • Molecular Formula:C19H21FN2O3S
  • Exact Mass:307.083806
  • Monoisotopic Mass:307.083806
  • Complexity:389
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:160
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Fax:86-311-66561638
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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