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Home> Hot Product Listed F   > F5342-0089
15687-27-1 structure

F5342-0089

CAS No.:15687-27-1
Molecular Weight:206.28082
Molecular Formula:C18H21CLN2O3S2 (isomer)
Names and Identifiers
Synonyms

1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-(2-(4-methoxyphenyl)-2-oxoethyl)-1h-pyrazolo[3,4-d]pyrimidin-4(5h)-one AKOS016385032 MCULE-8457080042 MOLPORT-009-731-754 VU0642703-1

Inchi
InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChkey
HEFNNWSXXWATRW-UHFFFAOYSA-N
Canonical Smiles
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Properties
Melting Point
75-78℃
Vapour
0.000139mmHg at 25°C
Alpha
[α]D20 -1~+1°(c=1,C2H5OH)
HS Code
29163920
Safety and Handling
Risk Statements
R22;R51/53;R63
Safety Statements
S36/37;S61
HazardClass
6.1(b)
PackingGroup
III
Transport
2811
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2017
OLON Spa 2017
Siegfried PharmaChemikalien Minden GmbH 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin mild irritation, Category 3

Eye irritation, Category 2A

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H316 Causes mild skin irritation

H320 Causes eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P332+P313 If skin irritation occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:206.28082g/mol
  • Molecular Formula:C18H21CLN2O3S2
  • XLogP3-AA:3.5
  • Exact Mass:206.13068
  • Monoisotopic Mass:206.13068
  • Complexity:203
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • 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:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
 
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