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Home> Hot Product Listed F   > F5596-0849
422-64-0 structure

F5596-0849

Iupac Name:2,2,3,3,3-pentafluoropropanoic acid
CAS No.:422-64-0
Molecular Weight:164.031
Molecular Formula:C7H11N3 (isomer)
Names and Identifiers
Synonyms

(4-((1h-imidazol-1-yl)methyl)phenyl)(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone AKOS024514861 MCULE-5549852874 MOLPORT-019-919-027 VU0648296-1 ZINC38523013

Inchi
InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChkey
LRMSQVBRUNSOJL-UHFFFAOYSA-N
Canonical Smiles
C(=O)(C(C(F)(F)F)(F)F)O
Properties
Vapour
35.8mmHg at 25°C
Refractive Index
1.283-1.286
HS Code
29159080
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 3265
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

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

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:164.031g/mol
  • Molecular Formula:C7H11N3
  • Compound Is Canonicalized:True
  • Exact Mass:163.99
  • Monoisotopic Mass:163.99
  • Complexity:148
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:37.3A^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: AAADcQBAMcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACwAACAAACAAAgBAACAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Fax:86-571-87396431
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