(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 oxime derivative compound with carbamate functionality and moderate toxicity classification. This specialized chemical compound belongs to the family of substituted oximes containing both carbamate and nitrile functional groups. With its molecular formula C7H10N4O3 and molecular weight of 198.18 g/mol, this substance exhibits unique structural characteristics that make it valuable for specific industrial applications. The compound's classification under multiple hazard categories including reproductive toxicity (Repr. 2), acute toxicity (Acute Tox. 4), and skin sensitization (Skin Sens. 1) requires careful handling protocols and appropriate safety measures during storage, transportation, and use. The presence of the ethylcarbamoyl group combined with the methoxy-substituted oxime structure provides distinctive chemical reactivity patterns. Safety considerations are paramount when working with this material, as indicated by its GHS08, GHS07, and GHS09 pictograms and ADR Class 9 classification. The compound also presents environmental concerns due to its aquatic toxicity classifications, necessitating proper waste management and spill containment procedures. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes. The compound's structural similarity to other nitrogen-containing heterocycles makes it particularly relevant in sectors requiring precise molecular modification. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this oxime derivative offers more complex functionality for advanced synthetic applications. OYSI maintains reliable supply chains for this technical-grade chemical compound, ensuring consistent availability for European industrial customers requiring high-quality specialty chemicals for their manufacturing processes.

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 contains multiple functional groups including cyanide, carbamoyl, and methoxy groups. It is classified as a hazardous chemical with reproductive, acute toxicity, and environmental concerns, requiring careful handling and specialized storage conditions.

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

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is a complex organic molecule with a molecular weight of 198.18 g/mol. The compound contains nitrogen-rich functional groups and exhibits moderate polarity due to its carbamoyl and methoxy substituents. Specific physical properties such as melting point, boiling point, and solubility characteristics should be verified through technical documentation, as these parameters are crucial for proper handling and application procedures.

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 cyanide and carbamoyl groups makes it valuable for specialized organic transformations. The compound may serve as a building block in the production of bioactive molecules, though specific applications should be confirmed with manufacturers due to its hazardous classification and regulatory restrictions.

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

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide requires strict safety protocols due to its acute toxicity and sensitizing properties. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Handle only in fume hoods, avoid skin contact and inhalation, and ensure emergency shower facilities are accessible. Personnel should be trained on cyanide-containing compound hazards and proper 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 must be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed and protected from moisture, heat sources, and direct sunlight. Store separately from acids, oxidizing agents, and basic compounds. Ensure storage areas have appropriate spill containment measures and restricted access due to the compound's reproductive toxicity and acute hazard classification.

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. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Seek medical attention promptly in all cases, especially given the compound's acute toxicity classification. Inform medical personnel of the specific chemical name and CAS number.

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

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide requires specialized hazardous waste disposal due to its toxicity and environmental hazard classification. Contact licensed hazardous waste disposal companies familiar with cyanide-containing compounds. Do not discharge to sewers or environment due to its Aquatic Acute 1 and Chronic 1 classifications. Follow local and EU regulations for hazardous chemical waste, maintaining proper documentation and waste manifests throughout the disposal process.

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 Goods), Packing Group III. Transport requires proper dangerous goods packaging, labeling with GHS08, GHS07, and GHS09 pictograms, and appropriate shipping documentation. Drivers must have ADR certification for Class 9 materials. Ensure packages are secured, properly marked, and accompanied by emergency response information during transit throughout Europe.

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

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is subject to EU REACH and CLP regulations due to its hazardous properties. While not currently listed as an SVHC, its Repr. 2 classification requires special attention under reproductive toxicity provisions. Companies must maintain safety data sheets, conduct exposure assessments, and implement appropriate risk management measures. The substance may face future regulatory restrictions due to its environmental and health hazard profile.

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

(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide is available through specialized chemical distributors like OYSI, a European distributor of technical chemicals. Due to its hazardous classification and regulatory requirements, procurement requires proper documentation, safety protocols, and qualified handling facilities. Contact OYSI directly to verify availability, technical specifications, regulatory compliance documentation, and delivery options for this controlled chemical substance across European markets.

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Data Sources

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