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Home> Hot Product Listed A   > AKOS005928580
1071-93-8 structure

AKOS005928580

CAS No.:1071-93-8
Molecular Weight:174.20096
Molecular Formula:C13H16FNO4 (isomer)
Names and Identifiers
Synonyms

3-{2-[(4-methylphenyl)sulfanyl]acetamido}butanoic acid MCULE-7084574655 MOLPORT-011-225-259 Z85972184

Inchi
InChI=1/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
InChkey
IBVAQQYNSHJXBV-UHFFFAOYSA-N
Canonical Smiles
C(CCC(=O)NN)CC(=O)NN
Properties
Melting Point
175-182℃
Vapour
6.92E-11mmHg at 25°C
Refractive Index
1.513
HS Code
29280090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
HazardClass
IRRITANT
Transport
25kgs
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
Envigo Consulting Limited 2014
ESIM Chemicals GmbH 2016
Novasol S.A. 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:174.20096g/mol
  • Molecular Formula:C13H16FNO4
  • Exact Mass:174.111676
  • Monoisotopic Mass:174.111676
  • Complexity:142
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:110
  • Heavy Atom Count:12
  • 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:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-87465837
  • Fax:86-27-87772287
 
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