ChemicalBook > CAS DataBase List > Trichloroacetyl isocyanate

Trichloroacetyl isocyanate

Product Name
Trichloroacetyl isocyanate
CAS No.
3019-71-4
Chemical Name
Trichloroacetyl isocyanate
Synonyms
2,2,2-TRICHLOROACETYL ISOCYANATE;trichloroethanecarbonyl isocyanate;Trichloroacetyl isocyate;trichloro-acetylisocyanat;TRICHLOROACETYL ISOCYANATE;Acetyl isocyanate, trichloro-;Trichloroacetyl isocyanate ,97%;Trichloroacetyl isocyanate, GC 97%;Acetyl isocyanate, 2,2,2-trichloro-;Isocyanic Acid Trichloroacetyl Ester
CBNumber
CB1337310
Molecular Formula
C3Cl3NO2
Formula Weight
188.4
MOL File
3019-71-4.mol
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Trichloroacetyl isocyanate Property

Melting point:
135-140 °C
Boiling point:
80-85 °C/20 mmHg (lit.)
Density 
1.581 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.480(lit.)
Flash point:
150 °F
storage temp. 
2-8°C
solubility 
Miscible with dichloromethane, ether, terahydrofuran and protic solvents.
form 
Liquid
color 
Clear colorless to slightly yellow
Water Solubility 
Decomposition
Sensitive 
Moisture Sensitive
BRN 
971201
Stability:
Hygroscopic, Moisture Sensitive
InChIKey
GRNOZCCBOFGDCL-UHFFFAOYSA-N
CAS DataBase Reference
3019-71-4(CAS DataBase Reference)
NIST Chemistry Reference
Trichloroacetyl isocyanate(3019-71-4)
EPA Substance Registry System
Acetyl isocyanate, trichloro- (3019-71-4)
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Safety

Hazard Codes 
T
Risk Statements 
14-23/24-34-42-23/24/25-36/37/38
Safety Statements 
23-26-36/37/39-45-8-7/9
RIDADR 
UN 2206 6.1/PG 3
WGK Germany 
3
F 
10-19
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
II
HS Code 
29291090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H314Causes severe skin burns and eye damage

H317May cause an allergic skin reaction

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
217328
Product name
Trichloroacetyl isocyanate
Purity
96%
Packaging
1g
Price
$56.6
Updated
2024/03/01
Sigma-Aldrich
Product number
217328
Product name
Trichloroacetyl isocyanate
Purity
96%
Packaging
10g
Price
$137
Updated
2024/03/01
TCI Chemical
Product number
T1047
Product name
Trichloroacetyl Isocyanate
Purity
>97.0%(N)
Packaging
1g
Price
$53
Updated
2024/03/01
TCI Chemical
Product number
T1047
Product name
Trichloroacetyl Isocyanate
Purity
>97.0%(N)
Packaging
5g
Price
$159
Updated
2024/03/01
Alfa Aesar
Product number
L00226
Product name
Trichloroacetyl isocyanate
Purity
97%
Packaging
2g
Price
$34.65
Updated
2024/03/01
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Trichloroacetyl isocyanate Chemical Properties,Usage,Production

Chemical Properties

clear colorless to slightly yellow liquid

Uses

Trichloroacetyl isocyanate was used in catalytic one-pot dehydrative glycosylation of 1-hydroxy carbohydrate. It was also used as a reagent for the conversion of alcohols to carbamates.

Application

Trichloroacetyl Isocyanate is used as an in situ derivatizing reagent for characterization of alcohols, glycols, phenols, and amines by nuclear magnetic resonance (NMR).It has been reported in the literature that it can be used for the preparation of cefuroxime axetil.

Preparation

Trichloroacetyl isocyanate can be obtained by reacting 2,2,2-trichloroacetamide with oxalyl chloride.
Procedure: A reaction mixture of 2,2,2-trichloroacetamide (100 g, 616 mmol, 1.0 eq) in (COCl)2 (725 g, 5.71 mol, 500 mL, 9.28 eq) was heated to 70°C for 24 hours. The reaction mixture was concentrated under vacuum. To the mixture was added 1,2,4-trichlorobenzene (500 mL) and (COCl)2 (116 g, 914 mmol, 80 mL, 1.48 eq). The reaction mixture was stirred at 100°C for 5 hours. Heat to 125°C for 15 hours. The mixture was then heated to 140°C for 5 hours. The reaction mixture was distilled under water pump (72°C-76°C fractions) to give trichloroacetyl isocyanate (60 g, 319 mmol, 52% yield) as a colorless oil.

General Description

Conformational stability and vibrational IR and Raman spectra of trichloroacetyl isocyanate has been investigated. Trichloroacetyl isocyanate is commonly employed as in situ derivatizing reagent for the 13C NMR studies of alcohols, phenols and amines. It undergoes 1,5-cycloaddition reaction with anhydro-2-deoxy-D-erythro- and -L-threo-pent-1-enitols and 1,5-anhydro-2-deoxy-D- and -L-arabino-hex-1-enitols to yield [2+2] and [4+2] cycloadducts.

Trichloroacetyl isocyanate Preparation Products And Raw materials

Raw materials

Trichloroacetyl chloride Sodium cyanate 1,2,4-Trichlorobenzene

Preparation Products

Cefuroxime
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Trichloroacetyl isocyanate Suppliers

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View Lastest Price from Trichloroacetyl isocyanate manufacturers

Ouhuang Engineering Materials (Hubei) Co., Ltd
Product
Trichloroacetyl isocyanate 3019-71-4
Price
US $10.00/kg
Min. Order
1kg
Purity
99.8%
Supply Ability
10000ton
Release date
2024-04-23
Wuhan Boye Science And Technology Development Co., Ltd.
Product
Trichloroacetyl isocyanate 3019-71-4
Price
US $2759.64/KG
Min. Order
1KG
Purity
97%
Supply Ability
500KG
Release date
2021-03-24
Hebei Mojin Biotechnology Co., Ltd
Product
Trichloroacetyl isocyanate 3019-71-4
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
50000KG/month
Release date
2023-06-27

3019-71-4, Trichloroacetyl isocyanateRelated Search:

Propyl isocyanate Trichloroacetyl chloride Isocyanatocyclohexane ISOCYANIC ACID Trimethylsilylacetylene Trimethyloxonium Tetrafluoroborate TRICHLOROACETIC ANHYDRIDE N-HEXADECYLTRICHLOROSILANE HEXYLTRICHLOROSILANE CYCLOPENTYLTRICHLOROSILANE 3-phenylpropyltrichlorosilane ISOCYANATE Chloroacetamide 2,2,2-Trichloroacetamide 2-Chloroethyl isocyanate METHYLISOCYANATE 1 X 500MG NEAT Ethylamine hydrochloride Chloroform

  • Trichloroacetyl isocyate
  • TRICHLOROACETYL ISOCYANATE
  • Acetyl isocyanate, trichloro-
  • trichloro-acetylisocyanat
  • 2,2,2-TRICHLOROACETYL ISOCYANATE
  • Trichloroacetyl isocyanate, NMR grade
  • Isocyanic Acid Trichloroacetyl Ester
  • Trichloroacetyl isocyanate, GC 97%
  • Trichloroacetyl isocyanate ,97%
  • 1-Oxo-2,2,2-trichloroethyl isocyanate
  • trichloroethanecarbonyl isocyanate
  • Trichloroacetyl isocyanate, NMR grade 10GR
  • TRICHLOROACETYL ISOCYANATE FOR SYNTHESIS
  • Trichloroacetyl isocyanate puruM, >=97.0% (GC)
  • Trichloroacetyl Isocyanate, 98.0%(N)
  • Acetyl isocyanate, 2,2,2-trichloro-
  • 3019-71-4
  • C3Cl3NO2
  • Cl3CCONCO
  • Isocyanates
  • Nitrogen Compounds
  • Organic Building Blocks
  • Building Blocks
  • Organics
  • Isocyanates
  • Nitrogen Compounds
  • Organic Building Blocks
  • Building Blocks
  • Chemical Synthesis
  • Nitrogen Compounds
  • Organic Building Blocks