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Home> Hot Product Listed D   > Dibenzo[b,e][1,4]dioxin,1,2,3,4,7,8-hexachloro-
1185309-72-1 structure

Dibenzo[b,e][1,4]dioxin,1,2,3,4,7,8-hexachloro-

Iupac Name:1-(1,3-thiazol-2-yl)piperidin-3-amine;hydrochloride
CAS No.:1185309-72-1
Molecular Weight:219.731
Molecular Formula:C26H16 (isomer)
Names and Identifiers
Synonyms

1,2,3,4,7,8-Hexachlorodibenzo[1,4]dioxin 1,2,3,4,7,8-Hexachlorodibenzo[b,e][1,4]dioxin 1,2,3,4,7,8-Hexachlorodibenzodioxin 1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin 1,2,3,4,7,8-HxCDD D 66 PCDD 66

Inchi
InChI=1S/C8H13N3S.ClH/c9-7-2-1-4-11(6-7)8-10-3-5-12-8;/h3,5,7H,1-2,4,6,9H2;1H
InChkey
NKOLYFHMTPFBEX-UHFFFAOYSA-N
Canonical Smiles
C1CC(CN(C1)C2=NC=CS2)N.Cl
Properties
Density
2.7
Boiling Point
°Cat760mmHg
Flash Point
134.1°C
Solubility
In water, 4.0X10-6 mg/l @ 20 deg C
HS Code
2934100090
Safety and Handling
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
A hexane soln containing both polychlorinated dibenzo-p-dioxins and polychlorinated dibenzo-p-furans (10-9000 ppb) was extracted from urban incineration fly ash, was treated with a TFH soln of sodium naphthalene, in the absence or presence of ethanol or butter, to realize the efficient removal of organic chlorine atoms (>99.99%). ...
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:219.731g/mol
  • Molecular Formula:C26H16
  • Compound Is Canonicalized:True
  • Exact Mass:219.06
  • Monoisotopic Mass:219.06
  • Complexity:153
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70.4A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzAABEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAQQAAAACCjFQgStkRNIEAik ABAnZAAA8KlRCjhJQIwYIACAQAIAiAAUAAAIEAKAACAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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