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Home> Hot Product Listed 2   > 2-acetyl-4-chlorophenyl thiophene-2-carboxylate
141-97-9 structure

2-acetyl-4-chlorophenyl thiophene-2-carboxylate

Iupac Name:ethyl 3-oxobutanoate
CAS No.:141-97-9
EINECS(EC#): 281-403-0
Molecular Weight:130.1418
Molecular Formula:C5H8CLIO (isomer)
Names and Identifiers
Synonyms

(2-acetyl-4-chlorophenyl) thiophene-2-carboxylate AC1L5QZP AC1Q61BC CTK5D5532 HE093019 nsc79396 nsc-79396

Inchi
InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChkey
XYIBRDXRRQCHLP-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CC(=O)C
Properties
Melting Point
-45℃
Vapour
0.0164mmHg at 25°C
Refractive Index
1.418-1.42
Flash Point
161.6°C
Safety and Handling
Risk Statements
R36
Safety Statements
S24/25
HazardClass
3.2
PackingGroup
III
Transport
UN 1993
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 100PLUS view >
Registered companies:
Registrant / Supplier details Latest dossier received
Beckmann-Kenko GmbH 2017
Eastman Chemical B.V. 2013
Envigo Research Limited 201 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:130.1418g/mol
  • Molecular Formula:C5H8CLIO
  • XLogP3-AA:0.2
  • Exact Mass:130.062994
  • Monoisotopic Mass:130.062994
  • Complexity:118
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:9
  • 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
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Recommended Suppliers
  • Tel:+86-(576)-8869-8077
  • Fax:+86-(576)-8869-8110
  • Tel:+86-(20)-8351-1988
  • Fax:+86-(20)-8351-1616
  • Tel:+1-(800)-743-2595
  • Fax:+1-(310)-719 1300
  • Tel:+1-(978)-521-6300
  • Fax:+1-(978)-521-6350
  • Tel:+1-(516)-627-6000
  • Fax:+1-(516)-627-6093
  • Tel:+1-(908)-598-4000
  • Fax:+1-(908)-598-4330
  • Tel:+1-(973)-740-2300
  • Fax:+1-(973)-740-1839
  • Tel:1-203- 5419000
  • Fax:+1-(714)-346-2244
  • Tel:+49-(5531)-90-0
  • Fax:+49-(5531)-90-1649
  • Tel:+86-(21)-60962381
  • Fax:+86-(21)-33922792
 
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