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Home> Encyclopedia >   /  Blood System Agents  /  Pharmaceutical  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Other Inorganic Chemicals
chlorowax 500C structure
chlorowax 500C structure

chlorowax 500C

Iupac Name:(3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CAS No.: 56180-94-0
Molecular Weight:645.608
Modify Date.: 2022-02-23 11:07
1. Names and Identifiers
1.1 Name
chlorowax 500C
1.2 CAS No.
56180-94-0
1.3 CID
41774
1.4 Molecular Formula
C20H12Br2O2 (isomer)
1.5 Inchi
InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
1.6 InChkey
XUFXOAAUWZOOIT-UGEKTDRHSA-N
1.7 Canonical Smiles
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO
1.8 Isomers Smiles
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
2. Properties
3.1 Density
1.977
3.1 Melting point
165-170°C
3.1 Boiling point
491.797 °C at 760 mmHg
3.1 Refractive index
1.689
3.1 Flash Point
284.1 °C
3.1 Precise Quality
645.24800
3.1 PSA
321.17000
3.1 logP
-8.17360
3.1 Color/Form
Generally they are viscous liquids.
Light yellow to amber, thick, oily liquid.
Colorless to pale yellow liquids
3. Safety and Handling
4.1 Other Preventative Measures
Keep material out of water sources and sewers. Build dikes to contain flow as necessary. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Attempt to stop leak if without undue personnel hazard. Keep upwind. Avoid breathing vapors. Do not handle broken packages unless wearing appropriate personal protective equipment.
4.2 Cleanup Methods
SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a POTW is acceptable only after review by the governing authority. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must meet Hazardous Material Criteria for disposal.
Land spill. Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. Water spill. Use natural barriers or oil spill control booms to limit spill travel. Air spill. Apply water spray or mist to knock down vapors.
4.3 DisposalMethods
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.
4.4 Fire Fighting Procedures
Extinguish fire using agent suitable for type of surrounding fire (Material itself does not burn or burns with difficulty.) Keep run-off water out of sewers and water sources.
4.5 Formulations/Preparations
Chlorinated paraffins are available commercially under the following names: Cereclor (Imperial Chemical Industries); Clorafin (Hercules Powder); Chlorowax (Diamond Alkali Co).
"Chlorowax" Trademark for a series of liquid and resinous chlorinated paraffins containing from 40% to 70% Cl by wt.
/Composed of/ chlorinated paraffin waxes and hydrocarbon waxes.
4.6 WGK Germany
1
4.6 RTECS
LZ7153000
4.6 Protective Equipment and Clothing
Wear appropriate chemical protective gloves, boots and goggles.
SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
4.7 Reactivities and Incompatibilities
... Chlorinated paraffins to release hydrochloric acid at elevated temperatures, and the hydrochloric acid inhibits the radical reaction in a flame. This property is considerably enhanced by the addition of antimony trioxide or other additives.
Prolonged exposure to light can ... cause dehydrochlorination.
Degradation by dehydrochlorination can be accelerated at elevated temperatures in the presence of aluminium, zinc, and iron oxide or chloride
4.8 Skin, Eye, and Respiratory Irritations
/Chlorinated paraffins produce/ only a weak or no irritating effect was observed, which decreased with increasing chain length.
Mild erythema
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 645.608g/mol
  • Molecular Formula: C20H12Br2O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: _8.5
  • Exact Mass: 645.24801352
  • Monoisotopic Mass: 645.24801352
  • Complexity: 962
  • Rotatable Bond Count: 9
  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 19
  • Topological Polar Surface Area: 321
  • Heavy Atom Count: 44
  • Defined Atom Stereocenter Count: 18
  • Undefined Atom Stereocenter Count: 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
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