Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate

C7H14NO5P

dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate

CAS6923-22-4
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate

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Identification

CAS Number
6923-22-4
EC Number
230-042-7
UN Number
2783
Index Number
015-072-00-9
PubChem CID
5371562

Physical-chemical properties

Molecular Formula
C7H14NO5P
Molar Mass
223.16 g/mol
IUPAC Name
dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate

Chemical Identifiers

InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
InChI Key
KRTSDMXIXPKRQR-AATRIKPKSA-N

Overview

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate (CAS 6923-22-4) is an organophosphorus compound with potent biological activity and high toxicity profile. This specialized organophosphorus derivative belongs to a class of compounds characterized by their phosphate ester functionality combined with an enamine structure. The molecule features a conjugated system with a methylamino group, conferring specific reactivity patterns that make it valuable in certain industrial applications while requiring stringent safety protocols due to its hazardous nature. The compound exhibits significant acute toxicity across multiple exposure routes, classified as Category 2 and 3 under GHS regulations, necessitating the "Danger" signal word and appropriate pictograms including GHS06 (skull and crossbones), GHS08 (health hazard), and GHS09 (environmental hazard). Its mutagenic properties (Category 2) and severe aquatic toxicity profile demand careful environmental consideration during handling and disposal. The molecular structure, with its molecular weight of 223.16 g/mol and formula C7H14NO5P, places it within the ADR Class 6.1 dangerous goods category for transportation purposes. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis and specialized chemical manufacturing processes where its unique reactivity profile provides advantages over related compounds such as N-methylaniline derivatives. The compound's enamine phosphate structure makes it particularly useful in certain biochemical research applications and as a building block for more complex molecular architectures. OYSI maintains availability of dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate for qualified industrial customers with appropriate safety infrastructure and regulatory compliance capabilities.

Safety & Classification

Danger
Classification:

Muta. 2; Acute Tox. 2 *; Acute Tox. 3 *; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H341

Suspected of causing genetic defects.

H330

Fatal if inhaled.

H311

Toxic in contact with skin.

H300

Fatal if swallowed.

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

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Toxic

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

Fatal

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 Number2783
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameMonocrotophos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate is an organophosphate compound with CAS number 6923-22-4 and molecular formula C7H14NO5P. This chemical has a molecular weight of 223.16 g/mol and belongs to the class of phosphate esters. It is classified as a highly hazardous substance with mutagenic properties and acute toxicity, requiring careful handling and specialized safety measures in industrial applications.

What are the physicochemical properties of dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate is an organophosphate ester with molecular formula C7H14NO5P and molecular weight 223.16 g/mol. As a phosphate derivative, it typically exhibits moderate polarity and may show solubility in polar solvents. The compound contains both ester and amide functional groups, which influence its chemical reactivity and stability. Specific physical properties such as melting point, boiling point, and appearance may vary depending on purity and storage conditions.

What is dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate used for?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate is primarily used in specialized industrial applications where organophosphate compounds are required. Given its chemical structure and properties, it may serve as an intermediate in chemical synthesis or as a component in formulated products. The compound's specific applications are typically limited to professional and industrial use due to its high toxicity classification and regulatory restrictions, requiring specialized handling expertise and safety protocols.

How to handle dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate safely?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate requires strict safety protocols due to its Acute Tox. 2 and mutagenic classification. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Workers must avoid skin contact, inhalation, and ingestion. Handle only in designated areas with emergency shower facilities available. All personnel must receive specialized training on organophosphate handling procedures and emergency response protocols before working with this substance.

How to store dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate correctly?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and protected from moisture and light. Store in secondary containment systems in designated hazardous material storage areas with restricted access. Maintain storage temperature below 25°C and ensure proper labeling with GHS pictograms. Regular inventory checks and proper segregation from oxidizers and strong bases are essential for safe storage.

What to do in case of contact with dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate?

Immediate action is critical if contact occurs with dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate due to its high acute toxicity. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Seek immediate medical attention in all cases, informing medical personnel of the organophosphate nature and providing the safety data sheet.

How to dispose of dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate properly?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate must be disposed of as hazardous waste through licensed waste management companies specializing in toxic chemical disposal. Never pour down drains or dispose in regular waste due to its aquatic toxicity and mutagenic properties. Contact authorized hazardous waste contractors for collection and treatment. Maintain detailed waste disposal records and follow local, national, and EU regulations including the Waste Framework Directive for proper documentation and tracking.

How to transport dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate is classified as ADR Class 6.1, Packing Group II, indicating it is a toxic substance requiring specialized transport procedures. Use UN-approved packaging suitable for Packing Group II toxic substances. Transport vehicles must display appropriate hazard placards and carry emergency response information. Only trained drivers with ADR certification can transport this material. Ensure proper documentation including transport documents and emergency contact information throughout the journey.

Is dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate subject to special regulations?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate is subject to strict EU chemical regulations under REACH and CLP due to its hazardous classification. While not currently listed as SVHC, its Muta. 2 and Acute Tox. 2 classifications require comprehensive risk assessments and safety measures. Users must comply with occupational exposure limits, worker protection requirements, and environmental discharge restrictions. Professional use only is typically required, with potential restrictions on availability to general consumers.

Where to buy dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate in Europe?

Dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate is available through OYSI, a specialized European distributor of technical chemicals. As a highly regulated toxic substance, it is typically supplied only to qualified industrial users with appropriate handling capabilities and regulatory compliance. OYSI provides comprehensive documentation including safety data sheets, certificates of analysis, and regulatory support to ensure proper handling and compliance with EU chemical regulations for professional applications.

Data Sources

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