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Home> Hot Product Listed M   > MCULE-6372752976
1294-07-1 structure

MCULE-6372752976

Iupac Name:cyclopenta-1,3-diene;yttrium(3+)
CAS No.:1294-07-1
Molecular Weight:284.191
Molecular Formula:C10H14N6O (isomer)
Names and Identifiers
Synonyms

CHEMBL3496809 MOLPORT-019-667-559 n-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide Z814542872 ZINC56972801

Inchi
InChI=1S/3C5H5.Y/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3
InChkey
OLQIFTSPAVIXCQ-UHFFFAOYSA-N
Canonical Smiles
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Y+3]
Properties
Melting Point
295℃
Vapour
418mmHg at 25°C
Safety and Handling
Risk Statements
R11
Safety Statements
43-7/8
HazardClass
4.1
Hazard Note
H228; H261
PackingGroup
III
Transport
UN 3395 4
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1294-07-1 EC: MCULE-6372752976 ·ECHA C&L Inventory for CAS: CAS: 1294-07-1 EC: MCULE-6372752976
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 2

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H228 Flammable solid

H261 In contact with water releases flammable gas

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

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

P223 Do not allow contact with water.

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

Response

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

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

Storage

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:284.191g/mol
  • Molecular Formula:C10H14N6O
  • Compound Is Canonicalized:True
  • Exact Mass:284.023
  • Monoisotopic Mass:284.023
  • Complexity:86.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:16
  • 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:4
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAAAAAAAgAAAAAAAAAAAYMGAAAAAAAAAAAAAAABUAAAGAAAAAAACACAEAAwAIAAAACA ACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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