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Home> Encyclopedia > Hot Product Listed 5   > 5H-Benzo[c]carbazole-9-carboxylicacid, 6,7-dihydro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1...
14548-74-4 structure

5H-Benzo[c]carbazole-9-carboxylicacid, 6,7-dihydro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

Iupac Name:2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propan-1-ol
CAS No.:14548-74-4
Molecular Weight:482.093
Molecular Formula:C16H16N2O5S (isomer)
Names and Identifiers
Synonyms

2-diethylaminoethyl 6,7-dihydro-5h-benzo[g]carbazole-9-carboxylate hydrochloride 5H-Benzo[c]carbazole-9-carboxylicacid, 6,7-dihydro-, 2-(diethylamino)ethyl ester, monohydrochloride (9CI) 7h-benzo(c)carbazole-9-carboxylic acid, 5,6-dihydro-, 2-(diethylamino)ethyl ester, hydrochloride AC1L3YOZ DTXSID40215050 LS-33696

Inchi
InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2
InChkey
URIUSGOUQUQAMG-UHFFFAOYSA-N
Canonical Smiles
C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O
Properties
Density
1.48
Boiling Point
588°C at 760 mmHg
Vapour
0.00313mmHg at 25°C
Refractive Index
1.292
Flash Point
0°C
Safety and Handling
Safety

Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl and NOx.

Toxicity
1.    

mmo-esc 500 µmol/L/30M

    GNKAA5    Genetika. 13 (1977),1621.
2.    

mmo-omi 25 mmol/L

    GNKAA5    Genetika. 13 (1977),1621.
Specification

  5,6-Dihydro-7H-benzo(c)carbazole-9-carboxylic acid 2-(diethylamino)ethyl ester hydrochloride , its cas register number is 64709-49-5. It also can be called 7H-Benzo(c)carbazole-9-carboxylic acid, 5,6-dihydro-, 2-(diethylamino)ethyl ester, hydrochloride .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:482.093g/mol
  • Molecular Formula:C16H16N2O5S
  • Compound Is Canonicalized:True
  • Exact Mass:481.981
  • Monoisotopic Mass:481.981
  • Complexity:576
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:20
  • Topological Polar Surface Area:38.7A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcQBwMcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGwAACAAACASggBIAAAAABgAA AAAAAAAAAAAAAAAAAAAAAAABEAAAAAACQAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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