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Home> Hot Product Listed S   > SCHEMBL9460145
37342-97-5 structure

SCHEMBL9460145

Iupac Name:cyclopenta-1,3-diene;zirconium(4+);dichloride
CAS No.:37342-97-5
Molecular Weight:292.314
Molecular Formula:C13H18BRNO3 (isomer)
Names and Identifiers
Synonyms

1h-imidazole-1-ethanol, 2-amino-

Inchi
InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChkey
SJVLZCPSDQQCDY-UHFFFAOYSA-L
Canonical Smiles
C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+4]
Isomers Smiles
[CH-]1[C-]=[C-][C-]=[C-]1.[CH-]1[C-]=[C-][C-]=[C-]1.Cl[ZrH]
Properties
Melting Point
300℃
Safety and Handling
Risk Statements
R11;R15;R34
Safety Statements
S16;S26;S36/37/39;S45;S8
HazardClass
4.3
PackingGroup
II
Transport
UN 3131
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 37342-97-5 EC: SCHEMBL9460145 ·ECHA C&L Inventory for CAS: CAS: 37342-97-5 EC: SCHEMBL9460145
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Substances and mixtures, which in contact with water, emit flammable gases, Category 2

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H261 In contact with water releases flammable gas

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P223 Do not allow contact with water.

P231+P232 Handle and store contents under inert gas/.... Protect from moisture.

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

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

P264 Wash ... thoroughly after handling.

Response

P302+P335+P334 IF ON SKIN: Brush off loose particles from skin. Immerse in cool water [or wrap in wet bandages].

P370+P378 In case of fire: Use ... to extinguish.

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/\u2026

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.

Storage

P402+P404 Store in a dry place. Store in a closed container.

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:292.314g/mol
  • Molecular Formula:C13H18BRNO3
  • Compound Is Canonicalized:True
  • Exact Mass:289.921
  • Monoisotopic Mass:289.921
  • Complexity:163
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:13
  • 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:5
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAGAAAAAQAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAACA ACBCAAAAAAAgAAAICAAAAAgIAAAAAQAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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