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Home> Hot Product Listed 2   > 2-Imidazolidinone,1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-1,3-di...
109-72-8 structure

2-Imidazolidinone,1-[4-[4-[4-[[(2S,4R)-4-(2,4-difluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-3-(1-methylethyl)-

Iupac Name:lithium;butane
CAS No.:109-72-8
Molecular Weight:64.056
Molecular Formula:C19H16N2O2 (isomer)
Names and Identifiers
Synonyms

1-(4-(4-(4-((4-(2,4-difluorophenyl)-4-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-3-(1-methylethyl)-2-imidazolidinone 1-[4-[4-[4-[[(2s,4r)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol 1-[4-[4-[4-[[(2s,4r)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-isopropyl-imidazolidin-2-one 1-[4-[4-[4-[[(2s,4r)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one 2-imidazolidinone, 1-[4-[4-[4-[[(2s,4r)-4-(2,4-difluorophenyl)-4-(1h-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-3-(1-methylethyl)- 4SYH0R661F antifungals, janssen research foundation azoline CHEMBL175633 D06630 D0Y2HA KB-68876 Pramiconazole pramiconazole (usan/inn) r 126638 r126638 r-126638 SCHEMBL3048310 unii-4syh0r661f ZINC3920372

Inchi
InChI=1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;/q-1;+1
InChkey
DLEDOFVPSDKWEF-UHFFFAOYSA-N
Canonical Smiles
[Li+].CCC[CH2-]
Properties
Density
1.04
Melting Point
80 °C
Flash Point
176.5°C
Safety and Handling
Risk Statements
R11;R14/15;R17;R35;R48/20;R63;R65;R67
Safety Statements
S16;S26;S36/37/39;S43;S45;S46;S62;S6
HazardClass
4.3
PackingGroup
I
Transport
UN 2445
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Albemarle Germany GmbH 2012
Albemarle U.S., Inc. 2011
FMC Chemicals Ltd 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Pyrophoric liquids, Category 1

Substances and mixtures, which in contact with water, emit flammable gases, Category 1

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H250 Catches fire spontaneously if exposed to air

H260 In contact with water releases flammable gases which may ignite spontaneously

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

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

P222 Do not allow contact with air.

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

P233 Keep container tightly closed.

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

P223 Do not allow contact with water.

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

P264 Wash ... thoroughly after handling.

Response

P302+P334 IF ON SKIN: Immerse in cool water [or wrap in wet bandages].

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].

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.

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:64.056g/mol
  • Molecular Formula:C19H16N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:64.086
  • Monoisotopic Mass:64.086
  • Complexity:7.6
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:5
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADcchgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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