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Home> Encyclopedia > Hot Product Listed 6   > 6,7-Isoquinolinediol,1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1)
28664-35-9 structure

6,7-Isoquinolinediol,1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-2-methyl-, hydrochloride (1:1)

Iupac Name:4-hydroxy-2,3-dimethyl-2H-furan-5-one
CAS No.:28664-35-9
Molecular Weight:128.127
Molecular Formula:C20H30O5 (isomer)
Names and Identifiers
Synonyms

6,7-Isoquinolinediol, 1-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydro-2-methyl-,hydrochloride (9CI) 6,7-Isoquinolinediol,1-(p-chlorophenethyl)-1,2,3,4-tetrahydro-2-methyl-, hydrochloride (6CI)

Inchi
InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
InChkey
UNYNVICDCJHOPO-UHFFFAOYSA-N
Canonical Smiles
CC1C(=C(C(=O)O1)O)C
Properties
Density
1.41
Melting Point
26-29 ºC
Vapour
0.00699mmHg at 25°C
Refractive Index
1.4910
Flash Point
168.4°C
HS Code
2932209090
Safety and Handling
Risk Statements
R20/22
Safety Statements
36
Transport
UN 3335
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:128.127g/mol
  • Molecular Formula:C20H30O5
  • Compound Is Canonicalized:True
  • Exact Mass:128.047
  • Monoisotopic Mass:128.047
  • Complexity:181
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgMAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGgAACAAADBSggAICCAAABgCI AgDQCAIAAAAgIAAACABAAEgBBAAAIAACEAAAAAALIQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-87396431
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  • Fax:86-571-86940780
  • Tel:86-755-89396905
  • Fax:86-755-22712255
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  • Tel:86-10-53366563
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  • Fax:021-66523180
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  • Fax:+86-411-84331905
  • Tel:0592-5744975 5744976
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  • Fax:+1-(410)-309-5955
 
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