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Home> Encyclopedia >   /  Chlorate  /  Chloride  /  Pharmaceutical Intermediates  /  Other Inorganic Chemicals  /  Others
T6636499 structure
T6636499 structure

T6636499

Iupac Name:dichlorozinc
CAS No.:7646-85-7
Molecular Weight:136.315
1. Names and Identifiers
1.1 Name
T6636499
1.2 Synonyms

2-[3-(4-chlorophenyl)-1-phenyl-1h-pyrazol-4-yl]-n-{2-[(pyrimidin-2-yl)amino]ethyl}acetamide MCULE-9381071136 MOLPORT-009-056-684 Z423697510 ZINC48290367

1.3 CAS No.
7646-85-7
1.4 CID
5727
1.5 Molecular Formula
C22H18F2N4O2S2 (isomer)
1.6 Inchi
InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2
1.7 InChkey
JIAARYAFYJHUJI-UHFFFAOYSA-L
1.8 Canonical Smiles
Cl[Zn]Cl
1.9 Isomers Smiles
Cl[Zn]Cl
2. Properties
3.1 Melting point
167-172 °C
3.1 Refractive index
INDEX OF REFRACTION: 1.681; 1.713
3.1 Vapour pressure
1 Pa (0.0075 mm Hg) at 305 °C; 10 Pa (0.075 mmHg) at 356 °C; 100 Pa (0.75 mm Hg) at 419 °C; 1 kPa (7.5 mm Hg) at 497 °C; 10 kPa (75 mm Hg) at 596 °C; 100 kPa (750 mm Hg) at 726 °C /Calculated from ideal gas thermodynamic functions/
3.1 Precise Quality
133.86700
3.1 PSA
0.00000
3.1 logP
1.37650
3. Safety and Handling
4.1 Symbol
GHS05, GHS07, GHS09
4.1 Signal Word
Danger
4.1 Risk Statements
36/37/38-50/53-34-22-51/53-67-66-19-12-11
4.1 Safety Statements
26-36-61-60-45-36/37/39
4.1 Packing Group
I
4.1 Hazard Class
3
4.1 Hazard Declaration
H302-H314-H410
4.1 RIDADR
UN 2331
4.1 Caution Statement
P260-P280-P301 + P312 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
4.1 WGK Germany
2
4.1 RTECS
ZH1400000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:136.315g/mol
  • Molecular Formula:C22H18F2N4O2S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:133.866847
  • Monoisotopic Mass:133.866847
  • Complexity:2.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:3
  • 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
6. Question & Answer
  • I am owner/operator of a small plating company in Pittsburgh, Pa. I am having a problem with reddish color in brass plating process. Obvious cause is low zinc content in brass plating bath. Our solution is cyanide based, but zinc cyanide is expensive and the minimum order is more than I would use i...
  • collect powdered material in the most convenient and safe manner and place into sealed containers for disposal . DO NOT wash into sewer. Zinc Chloride is a severe marine pollutant that may cause long term adverse effects to the aquatic environment.
  • My suggestion is to first dry the zinc chloride by heating it while passing hydrogen chloride over it (traditional method.). Then dissolve it in boiling ethyl alcohol - zinc chloride is much less soluble in alcohol at room temperature, so it should crystallize.
  • I am trying to do a reaction between acetyl chloride C H X 3 C O C l " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" C H X 3 C O C l C H X 3 C O C l with diethyl ether. I know that upon using anhydrous Z n C l X 2 " style="position: relative;" tabindex="0" id...
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