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Home> Hot Product Listed 1   > 1,3-Propanediamine,N1,N3-bis(3-phenyl-2-propen-1-ylidene)-
692-50-2 structure

1,3-Propanediamine,N1,N3-bis(3-phenyl-2-propen-1-ylidene)-

Iupac Name:1,1,1,4,4,4-hexafluorobut-2-yne
CAS No.:692-50-2
Molecular Weight:162.034
Molecular Formula:C22H26O6 (isomer)
Names and Identifiers
Synonyms

1,3-Propanediamine,N,N'-bis(3-phenyl-2-propenylidene)- (9CI) 1,3-Propanediamine,N,N'-dicinnamylidene- (8CI)

Inchi
InChI=1S/C4F6/c5-3(6,7)1-2-4(8,9)10
InChkey
WBCLXFIDEDJGCC-UHFFFAOYSA-N
Canonical Smiles
C(#CC(F)(F)F)C(F)(F)F
Properties
Density
1.416
Melting Point
-117 °C
Boiling Point
°Cat760mmHg
Refractive Index
1.281
Flash Point
499.5°C
Safety and Handling
Risk Statements
12-23
Safety Statements
16-33-45
HazardClass
2.3
Transport
UN 3160
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Gases under pressure: Compressed gas

Acute toxicity - Inhalation, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H280 Contains gas under pressure; may explode if heated

H331 Toxic if inhaled

Precautionary statement(s)
Prevention

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

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

Response

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

P311 Call a POISON CENTER/doctor/…

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

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:162.034g/mol
  • Molecular Formula:C22H26O6
  • Compound Is Canonicalized:True
  • Exact Mass:161.99
  • Monoisotopic Mass:161.99
  • Complexity:151
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:10
  • 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: AAADcQBgAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACQAAAAAACAAAABAAAAAAAABA EAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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