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Home> Hot Product Listed P   > Pyrano[2,3-c]pyrazole,5,6-diethoxy-1,4,5,6-tetrahydro-1,4-diphenyl-, (4a,5b,6a)- (9CI)
383-63-1 structure

Pyrano[2,3-c]pyrazole,5,6-diethoxy-1,4,5,6-tetrahydro-1,4-diphenyl-, (4a,5b,6a)- (9CI)

Iupac Name:ethyl 2,2,2-trifluoroacetate
CAS No.:383-63-1
EINECS(EC#): 278-036-3
Molecular Weight:142.077
Molecular Formula:C20H40CLNO2 (isomer)
Names and Identifiers
Synonyms

5,6-diethoxy-1,4-diphenyl-5,6-dihydro-4h-pyrano[2,3-c]pyrazole AC1L8ZP8 DTXSID00331129 HE397295 nsc371824 nsc-371824

Inchi
InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChkey
STSCVKRWJPWALQ-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C(F)(F)F
Properties
Density
1.19
Melting Point
-78℃
Boiling Point
671.8°C at 760 mmHg
Refractive Index
1.306-1.308
HS Code
29159080
Safety and Handling
Risk Statements
R11;R34
Safety Statements
S16;S26;S36/37/39;S45
HazardClass
3
PackingGroup
II
Transport
UN 1993
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 >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Solvay Fluor GmbH 2013
F.I.S. Fabbrica Italiana Sintetici S.p.a. 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

P273 Avoid release to the environment.

Response

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

P370+P378 In case of fire: Use ... to extinguish.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:142.077g/mol
  • Molecular Formula:C20H40CLNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:142.024
  • Monoisotopic Mass:142.024
  • Complexity:107
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:9
  • 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: AAADcYBgMYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAAAAAAAACggBICCAAABAAI AACQCAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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