Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed C   > CIS-2,4,5-TRIS(4-FLUOROPHENYL)IMIDAZOLINE
288383-20-0 structure

CIS-2,4,5-TRIS(4-FLUOROPHENYL)IMIDAZOLINE

Iupac Name:4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CAS No.:288383-20-0
Molecular Weight:450.514
Molecular Formula:C9H16O6 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
InChkey
XXJWYDDUDKYVKI-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5
Properties
Vapour
0mmHg at 25°C
Refractive Index
1.642
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H361 Suspected of damaging fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

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:450.514g/mol
  • Molecular Formula:C9H16O6
  • Compound Is Canonicalized:True
  • Exact Mass:450.207
  • Monoisotopic Mass:450.207
  • Complexity:625
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:72.5A^2
  • Heavy Atom Count:33
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB7sQAAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFix/gAAHwAQAAAADAzhng431vfJlACg AyRjZACCiCkxIqAJ2SA+7JiNLuLE+duOPCru0BvK6Cfw8L8OIEABAgACQABAgAIEAASAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-(571)-28887955
  • Fax:+86-(571)-28887955
Recommended Suppliers
  • Tel:+86-(571)-28887955
  • Fax:+86-(571)-28887955
 
<