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2,2,2-Trichloro-1-ethoxyethanol is a white to light yellow crystalline powder that is primarily utilized in the pharmaceutical and chemical industries. It is a versatile compound with a range of applications due to its unique chemical properties.

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  • 515-83-3 Structure
  • Basic information

    1. Product Name: 2,2,2-TRICHLORO-1-ETHOXYETHANOL
    2. Synonyms: 1-ethoxy-2,2,2-trichloro-ethano;1-ethoxy-2,2,2-trichloroethanol;2,2,2-trichloro-1-ethoxy-ethano;chloral,ethylhemiacetal;Chloralacetal;chloral-acetal;chloralalkoholat;chloralethylalcoholate
    3. CAS NO:515-83-3
    4. Molecular Formula: C4H7Cl3O2
    5. Molecular Weight: 193.46
    6. EINECS: 208-211-1
    7. Product Categories: N/A
    8. Mol File: 515-83-3.mol
    9. Article Data: 3
  • Chemical Properties

    1. Melting Point: 47 °C
    2. Boiling Point: 116 °C
    3. Flash Point: 116°C
    4. Appearance: White to light yellow/Crystalline Powder, Crystals, Needles or Low Melting Mass
    5. Density: 1,143 g/cm3
    6. Vapor Pressure: 9.31mmHg at 25°C
    7. Refractive Index: 1.488
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 10.84±0.20(Predicted)
    11. Water Solubility: Slightly soluble in Water.
    12. Sensitive: Hygroscopic
    13. Merck: 14,2069
    14. BRN: 1209355
    15. CAS DataBase Reference: 2,2,2-TRICHLORO-1-ETHOXYETHANOL(CAS DataBase Reference)
    16. NIST Chemistry Reference: 2,2,2-TRICHLORO-1-ETHOXYETHANOL(515-83-3)
    17. EPA Substance Registry System: 2,2,2-TRICHLORO-1-ETHOXYETHANOL(515-83-3)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22
    3. Safety Statements: 23-36/37
    4. WGK Germany:
    5. RTECS: KM4725000
    6. TSCA: Yes
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 515-83-3(Hazardous Substances Data)

515-83-3 Usage

Uses

Used in Pharmaceutical Industry:
2,2,2-Trichloro-1-ethoxyethanol is used as an intermediate in the synthesis of various pharmaceutical compounds. Its chemical structure allows for the development of new drugs with potential therapeutic benefits.
Used in Chemical Industry:
2,2,2-Trichloro-1-ethoxyethanol is used as an intermediate in the production of fluorine plastics. Its unique properties contribute to the development of advanced materials with specific characteristics, such as increased durability and resistance to various environmental factors.

Safety Profile

Moderately toxic by ingestion.When heated to decomposition it emits toxic fumes ofClí.

Check Digit Verification of cas no

The CAS Registry Mumber 515-83-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,1 and 5 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 515-83:
(5*5)+(4*1)+(3*5)+(2*8)+(1*3)=63
63 % 10 = 3
So 515-83-3 is a valid CAS Registry Number.
InChI:InChI=1/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3/t3-/m1/s1

515-83-3 Well-known Company Product Price

  • Brand
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  • Alfa Aesar

  • (L05064)  2,2,2-Trichloro-1-ethoxyethanol, 98%   

  • 515-83-3

  • 10g

  • 433.0CNY

  • Detail
  • Alfa Aesar

  • (L05064)  2,2,2-Trichloro-1-ethoxyethanol, 98%   

  • 515-83-3

  • 50g

  • 1537.0CNY

  • Detail

515-83-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2,2-TRICHLORO-1-ETHOXYETHANOL

1.2 Other means of identification

Product number -
Other names Chloral alcoholate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:515-83-3 SDS

515-83-3Relevant articles and documents

Interactive n→σ* delocalizations that control an aqueous organic equilibrium

Fan, Yun-Hua,Haseltine, John

, p. 9279 - 9282 (2007/10/03)

Hydrated acetaldehydes were condensed in D2O with substituted alcohols and thiols to determine ΔG of hemiacetalization by 1H NMR. Specific n→σ* delocalizalions in the alkoxy/alkylthio functionality of the product interact to influence n→σ* delocalization in the hemiacetal functionality. Delocalization in the latter functionality controls ΔG.

Chlorine NQR on Hemiacetals of Chloral, Cl3CCH(OH)OR

Hashimoto, M.,Weiss, Alarich

, p. 134 - 141 (2007/10/02)

The 35Cl NQR spectra of 22 hemiacetals of chloral, Cl3CCH(OH)OR, were studied.Most of these hemiacetals with R = unbranched aliphatic group, show a three line 35Cl NQR spectrum having a regular splitting pattern; two lines around νL = 38.6 +/- 0.1 MHz and the third line at νH = 39.0 +/- 0.1 MHz.It is assumed that the difference between νL and νH is due to "chemical splitting".Completely irregular splitting pattern are found for the hemiacetals carrying bulky branched aliphatic groups.Moreover the magnitudes of these splittings are relatively large.A deformation of the molecules due to intramolecular steric hindrance seems to be responsible for this large splitting.The frequency shift in these compounds due to the steric effect is estimated to be 1 MHz or less.A peculiar temperature dependence of the 35Cl NQR line intensity was found for chloral n-butylhemiacetal.An intramolecular bifurcated hydrogen bond between CCl3 and OH groups is proposed to be responsible for the phenomenon.For p-chlorobenzylalcohol at ca. 226 K a phase transition was observed.

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