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Home> Hot Product Listed T   > T6689241
127-08-2 structure

T6689241

CAS No.:127-08-2
Molecular Weight:98.14232
Molecular Formula:C22H17FN4O3 (isomer)
Names and Identifiers
Synonyms

3-(2-chlorophenyl)-3-[2-(3,5-dimethyl-1h-pyrazol-1-yl)acetamido]propanoic acid MCULE-5443383565 MOLPORT-009-540-859 Z372729428

Inchi
InChI=1/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChkey
SCVFZCLFOSHCOH-UHFFFAOYSA-M
Canonical Smiles
CC(=O)[O-].[K+]
Properties
Melting Point
292℃
Vapour
13.9mmHg at 25°C
Refractive Index
n20/D 1.370
Safety and Handling
Risk Statements
R36/37/38
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 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BIOVERT, S.L. 2013
Brenntag Polska Sp.z.o.o. 2014
Clariant Plastics & Coatings (Deutschland) GmbH 2014
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:98.14232g/mol
  • Molecular Formula:C22H17FN4O3
  • Exact Mass:97.977011
  • Monoisotopic Mass:97.977011
  • Complexity:34.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.1
  • 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
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-523-87588858
  • Fax:86-523-87558858
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:86-27-87465837
  • Fax:86-27-87772287
 
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