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Home> Hot Product Listed 2   > 2-Propen-1-one,3-(4-methoxyphenyl)-1-[4-(1-methylethyl)phenyl]-
74-79-3 structure

2-Propen-1-one,3-(4-methoxyphenyl)-1-[4-(1-methylethyl)phenyl]-

CAS No.:74-79-3
Molecular Weight:174.20096
Molecular Formula:C7H3BR4NO3 (isomer)
Names and Identifiers
Synonyms

3-(4-Methoxyphenyl)-1-[4-(1-methylethyl)phenyl]-2-propen-1-one 4'-isopropyl-4-methoxychalcone

Inchi
InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChkey
ODKSFYDXXFIFQN-SCSAIBSYSA-N
Canonical Smiles
C(CC(C(=O)O)N)CN=C(N)N
Isomers Smiles
C(C[C@@H](C(=O)O)N)CN=C(N)N
Properties
Density
1.16
Melting Point
223-224℃
Boiling Point
544.5°C at 760 mmHg
Refractive Index
27 ° (C=8, 6mol/L HCl)
Flash Point
97.6°C
Alpha
27.1 o (C=8, 6N HCL)
HS Code
29252000
Safety and Handling
Risk Statements
R36
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Ajinomoto OmniChem (OR) 2014
Daesang Europe B.V. 2013
Kyowa Hakko Europe GmbH 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:174.20096g/mol
  • Molecular Formula:C7H3BR4NO3
  • XLogP3-AA:_4.2
  • Exact Mass:174.111676
  • Monoisotopic Mass:174.111676
  • Complexity:176
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:128
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • 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:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • 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:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
 
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