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Home> Encyclopedia > Hot Product Listed 2   > 2H-1,2-Benzothiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide
113963-68-1 structure

2H-1,2-Benzothiazine-3-carboxylicacid, 4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide

Iupac Name:3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CAS No.:113963-68-1
Molecular Weight:341.3627
Molecular Formula:C4H10O2S (isomer)
Names and Identifiers
Synonyms

4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylicacid ethyl ester 1,1-dioxide Ethyl4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Inchi
InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
InChkey
SWAWYMIKGOHZMR-UHFFFAOYSA-N
Canonical Smiles
CN1C(=O)C(=C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
Properties
Density
1.18
Boiling Point
346.1°Cat760mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.794
Flash Point
355.9°C
HS Code
2933990090
Safety and Handling
Safety

Low toxicity by ingestion and inhalation. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and SOx.
 

Hazard Codes: ToxicT
Risk Statements: 23 
R23 :Toxic by inhalation.
Safety Statements: 45 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Toxicity
1.    

orl-rat LD50:4800 mg/kg

    MTPEEI    Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology.(11),(1996),45.
2.    

ihl-rat LC50:1562 mg/m3

    MTPEEI    Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology.(11),(1996),45.
3.    

orl-gpg LD50:5300 mg/kg

    MTPEEI    Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology.(11),(1996),45.
Specification

 Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide ,its cas register number is 24683-26-9. It also can be called Ethyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1,2-benzothiazine-3-carboxylate and 2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide .

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:341.3627g/mol
  • Molecular Formula:C4H10O2S
  • Exact Mass:341.116427
  • Monoisotopic Mass:341.116427
  • Complexity:604
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:69
  • Heavy Atom Count:26
  • 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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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+86 (0) 571 85 58 67 18
  • Fax:0086-571-85864795
  • Tel:+41 61 926 8989
  • Fax:+41 61 926 8979
  • Tel:+1-(734)-975-3939
  • Fax:
  • Tel:+44 1484 317 214
  • Fax:
  • Tel:021-36030322
  • Fax:86-21-66315383
 
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