Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > Titanium(1+), (acetonitrile)chlorobis(h5-2,4-cyclopentadien-1-yl)-, (T-4)-tetrachloroferrate(1-)
3130-75-4 structure

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

Iupac Name:4-(1,3-dioxoisoindol-2-yl)butanoic acid
CAS No.:3130-75-4
Molecular Weight:233.223
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=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
InChkey
HMKSXJBFBVGLJJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O
Properties
Density
1.637
Melting Point
119-121°C
Boiling Point
265.7 °C at 760 mmHg
Flash Point
196.4°C
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

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

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

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.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:233.223g/mol
  • Molecular Formula:C19H21FN2O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:233.069
  • Monoisotopic Mass:233.069
  • Complexity:328
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.7A^2
  • Heavy Atom Count:17
  • 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: AAADccByOAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAACAAADADBmAQwCIMAAgCI AiHSGACCAAAkAAAIiAEIBMgIIDKAlRGEYQhkhiCIiYc9iICOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-512-63009836
  • Fax:86-512-63006936
  • Tel:+86-571-88925295 88920965
  • Fax:
  • Tel:+86-25-58766653
  • Fax:+86-25-58631956
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-512-63009836
  • Fax:86-512-63006936
  • Tel:+86-571-88925295 88920965
  • Fax:
  • Tel:+86-25-58766653
  • Fax:+86-25-58631956
 
<