Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6H-Dibenzo[a,g]quinolizinium,5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7S,13aS)...
99-73-0 structure

6H-Dibenzo[a,g]quinolizinium,5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7S,13aS)-

Iupac Name:2-bromo-1-(4-bromophenyl)ethanone
CAS No.:99-73-0
EINECS(EC#): 252-149-8
Molecular Weight:277.943
Molecular Formula:C11H15N3O7 (isomer)
Names and Identifiers
Synonyms

(-)-Cissamine (-)-Cyclanolin (-)-Cyclanoline (6s,12bs)-4,11-dihydroxy-3,10-dimethoxy-6-methyl-5,6,7,8,12b,13-hexahydro-6-azatetraphen-6-ium (6s,12bs)-4,11-dihydroxy-3,10-dimethoxy-6-methyl-7,8,12b,13-tetrahydro-5h-6-azatetraphen-6-ium (7s,13as)-2,9-dihydroxy-3,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6h-isoquinolino[3,2-a]isoquinolinium (7S,13aS)-5,8,13,13a-Tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-6H-dibenzo[a,g]quinolizinium (s)-cis-n-methylscoulerine 13aa-Berbinium,2,9-dihydroxy-3,10-dimethoxy-7-methyl- (8CI) 2,9-dihydroxy-3,10-dimethoxy-7-methyl-,(7S,13aS)- 6h-dibenzo(a,g)quinolizinium, 5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7s-cis)- 6H-Dibenzo[a,g]quinolizinium,5,8,13,13a-tetrahydro- 6H-Dibenzo[a,g]quinolizinium,5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7S-cis)- AC1MIY8A a-Cyclanoline CHEBI:76923 Ciclanoline cissamine cyclanoline DTXSID00171789 l-Cyclanoline PL048978 ZINC255226625

Inchi
InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChkey
FKJSFKCZZIXQIP-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C(=O)CBr)Br
Properties
Density
1.061
Melting Point
108-110℃
Boiling Point
503.9°C at 760 mmHg
Refractive Index
1.603
Flash Point
291.1°C
HS Code
29147090
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 3261
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

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.

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.

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:277.943g/mol
  • Molecular Formula:C11H15N3O7
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.2
  • Exact Mass:277.876
  • Monoisotopic Mass:275.879
  • Complexity:139
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:11
  • 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: AAADcYBwIAAAGAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBAAAAB7ASAmAAwAIAAAACI AqBSAAACAAAkAAQIiAEAAOgoIDKAFRCAIQAggAAIi5cIiICOAgAAAAAAAAAEAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-27-59721024
  • Fax:86-27-59721024
Recommended Suppliers
  • Tel:+86-311-85355123
  • Fax:+86-311-85355123
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-27-59721024
  • Fax:86-27-59721024
 
<