Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5,10[1',2']-Benzeno-5H-dibenzo[a,d]cycloheptene,10,11-dihydro- (9CI)
117-92-0 structure

5,10[1',2']-Benzeno-5H-dibenzo[a,d]cycloheptene,10,11-dihydro- (9CI)

Iupac Name:4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline;iodide
CAS No.:117-92-0
Molecular Weight:430.333
Molecular Formula:C18H12N4O5S (isomer)
Names and Identifiers
Synonyms

5,10-o-Benzeno-5H-dibenzo[a,d]cycloheptene,10,11-dihydro- (8CI) Homotriptycene

Inchi
InChI=1S/C21H23N2.HI/c1-4-23-20(16-12-18-7-5-6-8-21(18)23)15-11-17-9-13-19(14-10-17)22(2)3;/h5-16H,4H2,1-3H3;1H/q+1;/p-1
InChkey
JOLANDVPGMEGLK-UHFFFAOYSA-M
Canonical Smiles
CC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]
Isomers Smiles
CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-]
Properties
Density
1.17
Melting Point
240℃
Boiling Point
°Cat760mmHg
Flash Point
228.1°C
HS Code
29334990
Safety and Handling
Safety Statements
S24/25
HazardClass
6.1
PackingGroup
II; III
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:430.333g/mol
  • Molecular Formula:C18H12N4O5S
  • Compound Is Canonicalized:True
  • Exact Mass:430.091
  • Monoisotopic Mass:430.091
  • Complexity:381
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:7.1A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7AAAAAgAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHAAAAAAADAjBHgQywPMMEACg AyRiRACCgCAhAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAOCAAAAAACAAAQAAAAAAQAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:021-67121386 800-988-0390
  • Fax:021-67121385
  • Tel:+420 221 403 111
  • Fax:+420 224 240 512
  • Tel:82- 2 -783 - 8063
  • Fax:82 -2 - 3775 - 3073
  • Tel:010-85895316 85895316 85890267
  • Fax:+86-10-85801614
  • Tel:0086-21-56558317
  • Fax:0086-21-56553837 66580966
  • Tel:+1-(631)-273-0900
  • Fax:+1-(631)-273-0858
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:021-67121386 800-988-0390
  • Fax:021-67121385
  • Tel:+420 221 403 111
  • Fax:+420 224 240 512
  • Tel:82- 2 -783 - 8063
  • Fax:82 -2 - 3775 - 3073
  • Tel:010-85895316 85895316 85890267
  • Fax:+86-10-85801614
  • Tel:0086-21-56558317
  • Fax:0086-21-56553837 66580966
  • Tel:+1-(631)-273-0900
  • Fax:+1-(631)-273-0858
 
<