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Home> Hot Product Listed H   > Hydrochlorofluorocarbon-224 (HCFC-224)
5089-22-5 structure

Hydrochlorofluorocarbon-224 (HCFC-224)

Iupac Name:2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
CAS No.:5089-22-5
Molecular Weight:362.38
Molecular Formula:C12H15N3OS (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H
InChkey
WFYSPVCBIJCZPX-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=CC=C2C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5
Properties
Density
1.114
Melting Point
210-212°C
Boiling Point
450.8°C at 760 mmHg
Refractive Index
1.731
Safety and Handling
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
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MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

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:362.38g/mol
  • Molecular Formula:C12H15N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:362.106
  • Monoisotopic Mass:362.106
  • Complexity:509
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.1A^2
  • Heavy Atom Count:28
  • 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: AAADccB7MAAAAAAAAAAAAAAAAAAAAWLAAAAwYMGAAAAAAFjB/gAAHgAAAAAADAyBngAwxvIIFECo A6VyVASCiCAvYiAImCG3bNgOJrLEtbuPOSjkxBHY6YeYyPCOwAACAAAQEACAAAQAACAgAAAAAAAA AA==
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