Trichloroacetyl isocyanate

Name: Trichloroacetyl isocyanate
Brand: Zhengzhou Whchem

CAS：3019-71-4 | Trichloroacetyl isocyanate | Whchem

CAS: 3019-71-4

Other Names

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%

Molecular Formula

Purity

>98%

Molecular Weight

188.4 g/mol

EINECS

221-165-7

Structure Available Verified Product

English Name	Trichloroacetyl isocyanate
English Synonyms	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%
CAS Number	3019-71-4
Molecular Formula	C3Cl3NO2
Molecular Weight	188.4 g/mol
EINECS Number	221-165-7
Related Categories	Organics;Isocyanates;Nitrogen Compounds;Organic Building Blocks;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
Mol File	Download MOL File
Structure Image

Property	Value
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 condition	2-8°C
Solubility	Miscible with dichloromethane, diethyl ether, tetrahydrofuran, and protic solvents.
Form	Liquid
Color	Clear colorless to pale yellow
Water solubility	Decomposition
Sensitivity	Moisture Sensitive
BRN	971201
Stability	Hygroscopic, moisture sensitive
InChI	1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8
InChIKey	GRNOZCCBOFGDCL-UHFFFAOYSA-N
SMILES	ClC(Cl)(Cl)C(=O)N=C=O
CAS Database Reference	3019-71-4(CAS DataBase Reference)
NIST Chemistry WebBook Reference	Trichloroacetyl isocyanate(3019-71-4)
EPA Chemical Substance Reference	Acetyl isocyanate, trichloro- (3019-71-4)

Trichloroacetyl isocyanate (CAS 3019-71-4) is a pharmaceutical intermediate widely used in drug discovery, API synthesis and commercial pharmaceutical manufacturing.

Zhengzhou Whchem supplies Trichloroacetyl isocyanate with >98% purity, complete analytical documentation and reliable global logistics for R&D and production needs.

Category	Description (English Translation)
In vivo action	Trichloroacetyl isocyanate plays a moisturizing and lubricating role in the body. It promotes proteoglycan biosynthesis and increases hyaluronic acid content in the skin. It improves age-related reduction in skin moisture, joint pain, and aging phenomena caused by decreased proteoglycans, thereby exerting a skin-beautifying effect.
Other potential activities	It is also a reducing substance with potential immune activity. It can be used as an antioxidant in food and as an additive in infant food. It can also be developed into anti-aging foods and anti-tumor foods.
Application	Trichloroacetyl isocyanate is an organic intermediate. It can be obtained by reacting 2,2,2-trichloroacetamide with oxalyl chloride. Literature reports indicate it can be used to prepare cefuroxime axetil.
Preparation Step 1	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.
Preparation Step 2	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, then heated to 125°C for 15 hours, and then heated to 140°C for 5 hours.
Preparation Step 3 (Distillation)	The reaction mixture was distilled under water pump vacuum (72-76°C fraction) to obtain trichloroacetyl isocyanate (60 g, 319 mmol, 52% yield) as a colorless oil, which was used in the next step without further purification.
Toxicity	Acute toxicity tests indicate that trichloroacetyl isocyanate is a low-toxicity organic compound. It shows no obvious potential risk to the healthy development of aquatic animals, organisms, and ecosystems.

Category	Value (English Translation)
Hazard Symbol (Pictogram)	T (Toxic)
Hazard Codes (R Phrases)	14-23/24-34-42-23/24/25-36/37/38
Safety Codes (S Phrases)	23-26-36/37/39-45-8-7/9
UN Number / Packing Group	UN 2206, 6.1/PG 3
WGK Germany	3
F (Hazard Index)	10-19
TSCA Status	TSCA listed
Hazard Class	6.1
Packing Group	II
HS Code (Customs)	29291090
Storage Category	6.1A - Flammable, Acute Toxic Substances (Category 1 and 2) - Highly Dangerous Toxic Substances
Hazard Classification	Acute Toxicity Category 3, Dermal Acute Toxicity Category 3, Inhalation, Serious Eye Damage Category 1, Respiratory Sensitizer Category 1, Skin Corrosion Category 1B, Skin Sensitizer Category 1

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Trichloroacetyl isocyanate

CAS：3019-71-4 | Trichloroacetyl isocyanate | Whchem

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