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Home> Hot Product Listed D   > Dicentrine hydrochloride
3155-48-4 structure

Dicentrine hydrochloride

Iupac Name:4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CAS No.:3155-48-4
EINECS(EC#): 254-663-8
Molecular Weight:230.25900
Molecular Formula:C10H14N4O4 (isomer)
Names and Identifiers
Synonyms

5h-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, hydrochloride (s) dicentrine hydrochloride, (+)- dicentrine hydrochloride, (d)- NM6VV540LZ UNII-4AK8B3X11J COMPONENT KEPNLLUUOISJKZ-UQKRIMTDSA-N unii-nm6vv540lz

Inchi
InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
InChkey
XEAQIWGXBXCYFX-BQYQJAHWSA-N
Canonical Smiles
COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2
Isomers Smiles
COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2
Properties
Melting Point
142-148ºC
Vapour
1.09E-07mmHg at 25°C
Refractive Index
1.564
Flash Point
135.8°C
Safety and Handling
Risk Statements
R22
Reach Info
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:230.25900g/mol
  • Molecular Formula:C10H14N4O4
  • Compound Is Canonicalized:True
  • Exact Mass:230.094
  • Monoisotopic Mass:230.094
  • Complexity:324
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAGgAAAAAADBSgmAIyCIAABACI AiDSCAACCAAgIAAIiAAAAMgIJCKAMRCCMAAlwAAIqQcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-22-58951207
  • Fax:86-22-58951207
  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:0572-8889530;0572-8889553
  • Fax:0572-8889553
  • Tel:86-571-86465881,86-571-87157530,86-571-88025800
  • Fax:
  • Tel:0086-028-85249238
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