Cas no 50893-53-3 (1-Chloroethyl Chloroformate)

1-Chloroethyl Chloroformate (C?H?Cl?O?) is a reactive chloroformate ester widely used as an intermediate in organic synthesis, particularly for introducing the chloroethyl carbonate group. Its high reactivity makes it valuable in peptide coupling, esterification, and the preparation of protected amino acids. The compound’s bifunctional nature, featuring both chloro and chloroformate moieties, enables efficient derivatization under mild conditions. It is commonly employed in pharmaceutical and agrochemical applications due to its ability to facilitate selective transformations. Proper handling is essential, as it is moisture-sensitive and requires storage under inert conditions. Its versatility and reactivity make it a useful reagent for specialized synthetic pathways.
1-Chloroethyl Chloroformate structure
1-Chloroethyl Chloroformate structure
Product Name:1-Chloroethyl Chloroformate
CAS No:50893-53-3
MF:C3H4Cl2O2
MW:142.96865940094
MDL:MFCD00000647
CID:55898
PubChem ID:521305
Update Time:2025-05-26

1-Chloroethyl Chloroformate Chemical and Physical Properties

Names and Identifiers

    • 1-Chloroethyl Chloroformate
    • 1-Chloroethyl chloridocarbonate
    • Carbonochloridic acid, 1-chloroethyl ester
    • CHLOROFORMIC ACID 1-CHLOROETHYL ESTER
    • ACE-CL
    • 1-Chloroethyl chloroformate (JCC)
    • 1-chloroethyl carbonochloridate
    • 1-CHLOROETHYL CHLOROFOMATE
    • α-Chloroethyl Chloroformate
    • chloroformic acid 1-chloro-ethyl ester
    • QOPVNWQGBQYBBP-UHFFFAOYSA-
    • alpha-Chloroethyl chloroformate
    • F0001-1331
    • MFCD00000647
    • 1-Chloroethyl chloroformate, 98%
    • 1-chloroethyl-chloroformate
    • alpha chloroethylchoroformate
    • alpha-chloroethyl-chloroformate
    • STR02709
    • 1-Chloroethyl carbonochloridate; 1-Chloroethyl chloroformate; Chloroformic acid 1-chloroethyl ester
    • chloro-formic acid 1-chloro-ethyl ester
    • AKOS017343084
    • EINECS 256-834-2
    • SCHEMBL25559
    • 1-choroethyl chloroformate
    • 50893-53-3
    • 1-Chloro ethyl chloroformate
    • 1-chlorethyl chloroformate
    • InChI=1/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3
    • J-504527
    • l-chloroethyl chloroformate
    • NS00057844
    • BP-10597
    • 1 -chloroethyl chloroformate
    • D78332
    • alpha-chloroethyl carbonochloridate
    • 1-Chloroethyl chloridocarbonate #
    • 1-CHLOROETHYLCHLOROFORMATE
    • 1-Chloroethyl chlorocarbonate
    • 1-Chloroethyl chloroformate?
    • FT-0600868
    • AKOS000121152
    • a-chloroethyl chloroformate
    • 1-chloroethoxycarbonyl chloride
    • DTXSID70965132
    • alphachloroethyl chloroformate
    • alpha-chloroethylchloroformat
    • a-chloro-ethyl chloroformate
    • a-chloroethylchloroformat
    • alpha-chloroethyl chlorocarbonate
    • alpha-chloroethylchloroformate
    • Q5103063
    • .alpha.-Chloroethyl chloroformate
    • EN300-24551
    • 1-Chloro-ethyl chloroformate
    • 1-chlorocarbonyloxy-1-chloroethane
    • 1-chloroethyl chloroforrnate
    • 1-Chloroethyl chloroformate,98%
    • DB-005712
    • 1-Chlorocarbonyloxy-1-chloroethane; 1-Chloroethyl Carbonochloridate; 1-Chloroethyl Chloroformate; Chloroformic Acid 1-Chloroethyl Ester; alpha-Chloroethoxycarbonyl Chloride
    • MDL: MFCD00000647
    • Inchi: 1S/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3
    • InChI Key: QOPVNWQGBQYBBP-UHFFFAOYSA-N
    • SMILES: ClC(C)OC(=O)Cl
    • BRN: 1747601

Computed Properties

  • Exact Mass: 141.95900
  • Monoisotopic Mass: 141.959
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 73.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.325?g/mL?at 25?°C(lit.)
  • Melting Point: -65°C
  • Boiling Point: 120°C
  • Flash Point: Fahrenheit: 104 ° f
    Celsius: 40 ° c
  • Refractive Index: n20/D 1.422(lit.)
  • Solubility: Miscible with most organic solvents.
  • PSA: 26.30000
  • LogP: 1.94660
  • Vapor Pressure: 3.25 psi ( 20 °C)
  • Sensitiveness: Moisture Sensitive
  • Solubility: React with water

1-Chloroethyl Chloroformate Security Information

  • Symbol: GHS02 GHS05 GHS06
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H226,H302,H314,H331
  • Warning Statement: P261,P280,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 2742 6.1/PG 2
  • WGK Germany:3
  • Hazard Category Code: 10-22-23-34
  • Safety Instruction: S26-S36/37/39-S45
  • FLUKA BRAND F CODES:10-19-21
  • Hazardous Material Identification: T
  • HazardClass:6.1
  • PackingGroup:II
  • Storage Condition:0-10°C
  • Risk Phrases:R10; R22; R23; R34
  • Packing Group:II
  • Safety Term:6.1
  • Packing Group:II
  • Hazard Level:6.1

1-Chloroethyl Chloroformate Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

1-Chloroethyl Chloroformate Pricemore >>

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1-Chloroethyl Chloroformate Production Method

1-Chloroethyl Chloroformate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:50893-53-3)1-Chloroethyl Chloroformate
Order Number:LE5371;LE26820787;LE17607
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:47
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
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(CAS:50893-53-3)1-Chloroethyl chloroformate
Order Number:sfd12035
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:50893-53-3)1-Chloroethyl Chloroformate
Order Number:A1205499
Stock Status:in Stock
Quantity:500g/250g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:57
Price ($):273.0/161.0

1-Chloroethyl Chloroformate Related Literature

Additional information on 1-Chloroethyl Chloroformate

Introduction to 1-Chloroethyl Chloroformate (CAS No. 50893-53-3)

1-Chloroethyl Chloroformate (CAS No. 50893-53-3) is a highly versatile intermediate in organic synthesis, particularly recognized for its utility in the preparation of various bioactive molecules. This compound belongs to the class of chlorinated esters, which are widely employed in pharmaceutical and agrochemical industries due to their reactivity and structural diversity. The unique combination of a chloroethyl group and a chloroformate moiety makes it a valuable reagent for introducing specific functional groups into molecular frameworks, facilitating the synthesis of complex derivatives.

The chemical structure of 1-Chloroethyl Chloroformate consists of a chloroformate group attached to an ethyl chain, which is further substituted with a chlorine atom. This arrangement imparts significant reactivity, particularly towards nucleophiles such as amines and alcohols, enabling the formation of amides and esters, respectively. The presence of the chlorine atom enhances the electrophilicity of the carbonyl carbon, making it an efficient electrophile in nucleophilic substitution reactions.

In recent years, 1-Chloroethyl Chloroformate has garnered attention in the field of medicinal chemistry for its role in the development of novel therapeutic agents. Its ability to introduce reactive chloroethyl groups into molecules has been exploited in the synthesis of chemotherapeutic compounds, where such functionalities are often crucial for target binding and metabolic stability. For instance, derivatives of 1-Chloroethyl Chloroformate have been investigated as potential inhibitors of enzymes involved in cancer cell proliferation, showcasing its importance in oncology research.

Moreover, advancements in synthetic methodologies have expanded the applications of 1-Chloroethyl Chloroformate beyond traditional pharmaceuticals. Recent studies highlight its use in the preparation of bioconjugates, where it serves as a linker for attaching biomolecules such as peptides and proteins to larger carrier molecules. This has opened new avenues in drug delivery systems and diagnostic tools, where precise molecular modifications are essential for efficacy and specificity.

The reactivity profile of 1-Chloroethyl Chloroformate also makes it a valuable tool in materials science. Researchers have leveraged its ability to form stable derivatives with various substrates to develop novel polymers and coatings with tailored properties. These materials exhibit enhanced durability and functionality, making them suitable for applications ranging from electronics to biodegradable packaging.

From an industrial perspective, the production and handling of 1-Chloroethyl Chloroformate require stringent safety measures due to its reactive nature. While it is not classified as a hazardous material under standard regulations, proper storage conditions and handling protocols must be followed to prevent unintended reactions. Manufacturers often employ controlled environments and specialized equipment to ensure safe processing and minimize risks associated with its use.

The demand for 1-Chloroethyl Chloroformate continues to grow as research progresses across multiple disciplines. Its adaptability in synthetic chemistry allows chemists to explore diverse molecular architectures, driving innovation in drug discovery and material science. As new methodologies emerge, the utility of this compound is expected to expand further, reinforcing its significance in modern chemical research.

In conclusion, 1-Chloroethyl Chloroformate (CAS No. 50893-53-3) stands as a cornerstone intermediate in organic synthesis, offering unparalleled flexibility in molecular construction. Its role in pharmaceutical development, bioconjugation techniques, and advanced materials underscores its versatility and importance. As scientific exploration continues to push boundaries, the applications of this compound will undoubtedly evolve, solidifying its position as a critical tool in the chemist's arsenal.

Recommended suppliers
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(CAS:50893-53-3)1-Chloroethyl Chloroformate
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Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
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Suzhou Senfeida Chemical Co., Ltd
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sfd12035
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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