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Home> Hot Product Listed C   > Cholest-2-eno[3,2-b]furan
51707-55-2 structure

Cholest-2-eno[3,2-b]furan

Iupac Name:1-phenyl-3-(thiadiazol-5-yl)urea
CAS No.:51707-55-2
Molecular Weight:220.25102
Molecular Formula:C99H177N3O42 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
Canonical Smiles
C1=CC=C(C=C1)NC(=O)NC2=CN=NS2
Properties
Density
1.33
Melting Point
213℃
Boiling Point
455.4°C at 760 mmHg
Refractive Index
1.754
Flash Point
163.9°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
22-26-36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 51707-55-2 EC: Cholest-2-eno[3,2-b]furan ·ECHA C&L Inventory for CAS: CAS: 51707-55-2 EC: Cholest-2-eno[3,2-b]furan
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:220.25102g/mol
  • Molecular Formula:C99H177N3O42
  • Exact Mass:220.041882
  • Monoisotopic Mass:220.041882
  • Complexity:220
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:95.2
  • Heavy Atom Count:15
  • 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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