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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...
13213-88-2 structure

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

Iupac Name:1,4-dihydro-3,1-benzoxazin-2-one
CAS No.:13213-88-2
Molecular Weight:149.14668
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=1/C8H7NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H,9,10)
Canonical Smiles
C1C2=CC=CC=C2NC(=O)O1
Properties
Density
1.48
Boiling Point
588°C at 760 mmHg
Vapour
0.255mmHg at 25°C
Refractive Index
1.562
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

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:149.14668g/mol
  • Molecular Formula:C16H16N2O5S
  • XLogP3-AA:1.5
  • Exact Mass:149.047678
  • Monoisotopic Mass:149.047678
  • Complexity:170
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.3
  • 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
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