(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

C7H10N4O3

CAS57966-95-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
57966-95-7
EC Number
261-043-0
UN Number
3077
Index Number
616-035-00-5
PubChem CID
5364079

Physical-chemical properties

Molecular Formula
C7H10N4O3
Molar Mass
198.18 g/mol
IUPAC Name
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

Chemical Identifiers

InChI
InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+
InChI Key
XERJKGMBORTKEO-VZUCSPMQSA-N

Overview

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide (CAS 57966-95-7) is an organic nitrogen compound with carbamoylamino and oxime ether functional groups. This complex organic molecule represents a specialized chemical intermediate featuring multiple nitrogen-containing functional groups including nitrile, carbamoyl, and oxime ether moieties. With the molecular formula C7H10N4O3 and molecular weight of 198.18 g/mol, this compound exhibits significant biological activity that requires careful handling due to its reproductive toxicity and acute toxicity properties. The substance is classified under the European chemicals regulation with EC number 261-043-0 and falls under ADR Class 9 for transportation purposes. The compound's safety profile indicates moderate to high hazard levels, displaying reproductive toxicity (Category 2), acute toxicity (Category 4), specific target organ toxicity following repeated exposure (Category 2), and skin sensitization potential (Category 1). Additionally, it presents significant environmental concerns with acute and chronic aquatic toxicity (Category 1), requiring strict environmental controls during handling and disposal. The GHS classification includes pictograms for health hazard (GHS08), exclamation mark (GHS07), and environmental hazard (GHS09). Industrial applications typically involve its use as a chemical intermediate in pharmaceutical synthesis and agrochemical manufacturing. The compound shares structural similarities with other nitrogen-containing heterocycles, though it differs significantly from simpler aromatic compounds like 1,4-dichlorobenzene in terms of complexity and biological activity. Its specialized structure makes it valuable in the synthesis of more complex bioactive molecules. OYSI maintains this technical-grade chemical intermediate for qualified industrial customers requiring specialized organic synthesis capabilities.

Safety & Classification

Warning
Classification:

Repr. 2; Acute Tox. 4; STOT RE 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameCymoxanil (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is an organic chemical compound with the molecular formula C7H10N4O3 and CAS number 57966-95-7. This substance has a molecular weight of 198.18 g/mol and belongs to the family of substituted ethanimidoyl compounds containing both cyanide and carbamate functional groups. It is classified as a hazardous chemical requiring special handling precautions due to its toxicological properties.

What are the physicochemical properties of (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is a solid organic compound at room temperature with a molecular weight of 198.18 g/mol. The substance contains multiple functional groups including cyanide, amide, and ether linkages, which influence its chemical reactivity and stability. Specific physical properties such as melting point, boiling point, and solubility characteristics should be verified through technical datasheets from suppliers.

What is (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide used for?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing multiple reactive sites makes it valuable for specialized organic synthesis applications. The compound may also serve research purposes in academic and industrial laboratories for the development of new chemical entities or as a building block in multi-step synthetic processes.

How to handle (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide safely?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide requires careful handling due to its classification as Acute Tox. 4, Repr. 2, STOT RE 2, and Skin Sens. 1. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection when necessary. Work in well-ventilated areas or under fume hoods, avoid skin and eye contact, and ensure proper training on emergency procedures before handling this substance.

How to store (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide correctly?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and light. Due to the presence of cyanide functionality, avoid storage near acids or oxidizing agents. Implement appropriate containment measures and ensure storage areas comply with local regulations for toxic and environmentally hazardous substances.

What to do in case of contact with (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?

Immediate action is required upon contact with (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide due to its toxicity classification. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and contact poison control or emergency services immediately.

How to dispose of (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide appropriately?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide must be disposed of as hazardous waste due to its toxicity and environmental classifications (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge to sewers, waterways, or regular waste streams. Follow all local, national, and EU regulations regarding hazardous waste management, including proper documentation and tracking requirements.

How to transport (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to dangerous goods regulations. Shipments must include proper shipping names, hazard labels, and safety data sheets. Only use authorized carriers trained in hazardous materials transport and ensure compliance with international transport regulations.

Is (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide subject to specific regulations?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is subject to REACH registration requirements and CLP classification regulations within the European Union. The substance displays GHS pictograms GHS07, GHS08, and GHS09 with warning signal word due to its hazardous properties. While not currently listed as SVHC, it requires compliance with occupational exposure limits, environmental protection measures, and proper risk assessment documentation for industrial use.

Where to buy (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide in Europe?

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers with proper documentation including safety data sheets, certificates of analysis, and regulatory compliance information. Contact OYSI directly to discuss availability, specifications, and ordering requirements for this controlled chemical substance.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.