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Home> Hot Product Listed S   > Spiro[isoquinoline-1(2H),4'-piperidin]-3(4H)-one,1'-methyl-
690-27-7 structure

Spiro[isoquinoline-1(2H),4'-piperidin]-3(4H)-one,1'-methyl-

Iupac Name:1,1,3,3,3-pentafluoroprop-1-ene
CAS No.:690-27-7
Molecular Weight:132.033
Molecular Formula:C11H17O3 (isomer)
Names and Identifiers
Synonyms

Spiro[isoquinoline-1(2H),4-piperidin]-3(4H)-one, 1-methyl- (8CI)

Inchi
InChI=1S/C3HF5/c4-2(5)1-3(6,7)8/h1H
InChkey
QAERDLQYXMEHEB-UHFFFAOYSA-N
Canonical Smiles
C(=C(F)F)C(F)(F)F
Properties
Melting Point
-153°C
Refractive Index
1.267
Safety and Handling
Risk Statements
R12
Safety Statements
S16;S23;S33;S9
HazardClass
2.2
Transport
3161
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable gases, Category 1

Gases under pressure: Liquefied gas

Acute toxicity - Inhalation, Category 3

Germ cell mutagenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H220 Extremely flammable gas

H280 Contains gas under pressure; may explode if heated

H331 Toxic if inhaled

H341 Suspected of causing genetic defects

Precautionary statement(s)
Prevention

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

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

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely.

P381 In case of leakage, eliminate all ignition sources.

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).

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P403 Store in a well-ventilated place.

P410+P403 Protect from sunlight. Store in a well-ventilated place.

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:132.033g/mol
  • Molecular Formula:C11H17O3
  • Compound Is Canonicalized:True
  • Exact Mass:132
  • Monoisotopic Mass:132
  • Complexity:94.7
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:8
  • 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: AAADcQBAAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGQAAAAAACACAABAAAAAAAACA ACBCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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