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Home> Hot Product Listed S   > SCHEMBL12909549
72-19-5 structure

SCHEMBL12909549

CAS No.:72-19-5
Molecular Weight:119.11916
Molecular Formula:C14H16FNO4 (isomer)
Names and Identifiers
Synonyms

1-(2,5-difluorophenyl)-2-methylpropan-1-one MOLPORT-008-604-621 ZINC36156438

Inchi
InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
Canonical Smiles
CC(C(C(=O)O)N)O
Properties
Melting Point
255℃
Refractive Index
1.507
Alpha
-28.4 º (c=6, H2O)
HS Code
29225000
Safety and Handling
Risk Statements
36/37/38
Safety Statements
S24/25
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 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Evonik Fermas s.r.o. 2016
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:119.11916g/mol
  • Molecular Formula:C14H16FNO4
  • XLogP3-AA:_2.9
  • Exact Mass:119.058243
  • Monoisotopic Mass:119.058243
  • Complexity:93.3
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.6
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • 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:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
 
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