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Home> Encyclopedia > Hot Product Listed 5   > 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7aS)...
175205-12-6 structure

5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (7aS)-

Iupac Name:5-(2,3-dichlorophenyl)-2H-tetrazole
CAS No.:175205-12-6
Molecular Weight:215.037
Molecular Formula:C46H62N2O5 (isomer)
Names and Identifiers
Synonyms

(+)-Dicentrine 1,2-(Methylenedioxy)-9,10-dimethoxy-6aa-aporphine 5h-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (s)- (9ci) 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (S)- 5h-benzo[g]-1,5,4-de]quinoline, 6,7,7a,8-tetrahydro-10,11-dimethoxy-7-methyl-, (s)- 6a.alpha.-aporphine,10-dimethoxy-1,2-(methylenedioxy)- 6aa-Aporphine,9,10-dimethoxy-1,2-(methylenedioxy)- (8CI) 6a-alpha-aporphine, 9,10-dimethoxy-1,2-(methylenedioxy)- 8161AH 9,10-Dimethoxy-1,2-(methylenedioxy)-6aa-aporphine acm517668 AMBAP28832-07-7 bdbm50306885 BT000546 C17426 ccris 3806 d-dicentrine Dicentrine (6CI,7CI) Eximine J2ZGT5M0N7 nsc406035 nsc-406035 o,n-dimethyllitseferine PL006554 unii-j2zgt5m0n7

Inchi
InChI=1S/C7H4Cl2N4/c8-5-3-1-2-4(6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChkey
OICQEAMHYWSULT-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C(=C1)Cl)Cl)C2=NNN=N2
Properties
Density
1.453
Melting Point
180-182°C
Boiling Point
498.4°C at 760 mmHg
Vapour
7.09E-07mmHg at 25°C
Refractive Index
1.641
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:215.037g/mol
  • Molecular Formula:C46H62N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:213.981
  • Monoisotopic Mass:213.981
  • Complexity:180
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:54.5A^2
  • Heavy Atom Count:13
  • 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: AAADcYBjgAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIYAAAADAKBGyAxEIQCAACi AiJiIACCAAIgBQAcqmAgBpgIIKKBkxGAIABggAAIiAcQgAAOAAAAIAABAAQAAABAAAIACAAAAAAA AA==
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