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Home> Hot Product Listed T   > T6612987
13780-39-7 structure

T6612987

Iupac Name:oxotitanium;dihydrochloride
CAS No.:13780-39-7
Molecular Weight:136.782
Molecular Formula:C20H21N5OS2 (isomer)
Names and Identifiers
Synonyms

4-methyl-n-[3-(2-methyl-1h-imidazol-1-yl)propyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide MCULE-4900652880 MOLPORT-009-073-318 Z595833886 ZINC47691049

Inchi
InChI=1S/2ClH.O.Ti/h2*1H;;
InChkey
FRYLSAGYQXAKIV-UHFFFAOYSA-N
Canonical Smiles
O=[Ti].Cl.Cl
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 10000_100000 view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Cristal France SAS 2011
Huntsman P&A Finland Oy 2012
Huntsman P&A France SAS 2011
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Skin corrosion, Category 1B

Serious eye damage, Category 1

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H314 Causes severe skin burns and eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

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

P271 Use only outdoors or in a well-ventilated area.

Response

P390 Absorb spillage to prevent material damage.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

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

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

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:136.782g/mol
  • Molecular Formula:C20H21N5OS2
  • Compound Is Canonicalized:True
  • Exact Mass:135.896
  • Monoisotopic Mass:135.896
  • Complexity:6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:4
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcQAAIAAGAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-10-61566641
  • Fax:+86-10-61561674
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-(755)-26404303
  • Fax:+86-(755)-26404265
  • Tel:732-933-5000
  • Fax:732-933-5200
  • Tel:82-2-780-5979
  • Fax:82-2-780-5459
  • Tel:+1-(281)-423-3300
  • Fax:+1-(281)-423-3258
  • Tel:+91-(22)-43432121
  • Fax:+91-(22)-43432122
 
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