Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

C12H14N4O4S2

methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

CAS23564-05-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
23564-05-8
EC Number
245-740-7
UN Number
3077
Index Number
006-069-00-3
PubChem CID
3032791

Physical-chemical properties

Molecular Formula
C12H14N4O4S2
Molar Mass
342.40 g/mol
IUPAC Name
methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

Chemical Identifiers

InChI
InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
InChI Key
QGHREAKMXXNCOA-UHFFFAOYSA-N

Overview

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate (CAS 23564-05-8) is an organic carbamate compound with dual thiourea functionality and potential carcinogenic properties. This complex organic molecule, registered under EC number 245-740-7, represents a specialized carbamate derivative containing multiple functional groups including methoxycarbonyl and carbamothioyl moieties. With a molecular formula of C12H14N4O4S2 and molecular weight of 342.4 g/mol, this compound exhibits significant structural complexity that influences both its chemical behavior and safety profile. The substance carries multiple hazard classifications including Category 2 carcinogenicity and mutagenicity, requiring careful handling protocols. Additionally classified as Acute Toxicity Category 4, Skin Sensitizer Category 1, and bearing both acute and chronic aquatic toxicity classifications, it demands comprehensive risk management measures. The GHS08, GHS07, and GHS09 pictograms reflect its health, physical, and environmental hazards respectively, while the ADR Class 9 designation indicates its status as a miscellaneous dangerous substance for transport purposes. Industrial applications typically involve its use as a chemical intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized polymer manufacturing. The compound's unique thiourea-carbamate structure makes it valuable in developing materials with specific binding properties or biological activity. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's multiple reactive sites enable complex chemical transformations in synthetic processes. Given its hazardous nature, proper storage conditions, personal protective equipment, and waste disposal procedures are essential for safe handling. OYSI maintains availability of this technical-grade chemical intermediate for qualified industrial customers requiring specialized carbamate compounds for research and manufacturing applications.

Safety & Classification

Warning
Classification:

Carc. 2; Muta. 2; Acute Tox. 4; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H341

Suspected of causing genetic defects.

H332

Harmful if inhaled.

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

Inhalation

Harmful

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

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:

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 NameThiophanat-methyl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is a complex organic compound with the molecular formula C12H14N4O4S2 and CAS number 23564-05-8. This chemical substance has a molecular weight of 342.4 g/mol and contains multiple functional groups including carbamate, thiourea, and aromatic components. It is classified as hazardous with carcinogenic and mutagenic properties, requiring careful handling and specialized safety measures in professional applications.

What are the physicochemical properties of methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is a solid compound at room temperature with a complex molecular structure containing sulfur and nitrogen heteroatoms. The substance has a molecular weight of 342.4 g/mol and displays characteristic properties typical of carbamate derivatives. Specific physical properties such as melting point, solubility, and appearance may vary depending on purity and crystalline form, requiring analytical verification for precise characterization.

What is methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate used for?

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is primarily used in specialized chemical applications and research contexts. Due to its complex structure containing carbamate and thiourea functionalities, it may serve as an intermediate in pharmaceutical synthesis or as a research chemical for specialized studies. Its hazardous classification limits its use to professional applications with appropriate safety controls and expertise in handling dangerous substances.

How to handle methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate safely?

Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Carc. 2, Muta. 2, and Skin Sens. 1 classifications. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. All personnel must be trained in handling carcinogenic and mutagenic substances, following strict protocols to minimize skin contact and inhalation risks while maintaining emergency procedures readily available.

How to store methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate correctly?

Storage requires secure, temperature-controlled conditions in designated areas for hazardous chemicals, away from incompatible materials and ignition sources. The substance must be kept in original, tightly sealed containers with proper labeling including GHS pictograms (GHS08, GHS07, GHS09). Access should be restricted to authorized personnel only, with inventory tracking and regular inspection protocols. Storage areas must comply with local regulations for carcinogenic and environmentally hazardous substances.

What to do in case of contact with methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?

Immediate skin contact requires thorough washing with soap and water for at least 15 minutes, followed by medical attention due to skin sensitization potential. In case of eye contact, flush immediately with clean water for 15 minutes and seek medical care. If inhaled, move to fresh air and monitor respiratory symptoms. For ingestion, do not induce vomiting and seek immediate medical attention. All exposure incidents require documentation and medical evaluation due to carcinogenic classification.

How to dispose of methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate appropriately?

Disposal must comply with hazardous waste regulations for carcinogenic and environmentally dangerous substances, requiring licensed hazardous waste contractors. The substance cannot be disposed of through regular waste streams due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. All waste containers must be properly labeled and documentation maintained throughout the disposal process. Incineration at authorized high-temperature facilities is typically the preferred disposal method for such hazardous organic compounds.

How to transport methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate?

Transportation follows ADR Class 9 regulations as miscellaneous dangerous goods, Packing Group III requirements. Packages must display proper shipping names, UN numbers, and hazard labels including environmental hazard markings. Vehicles require appropriate placarding and drivers must hold ADR certification for Class 9 materials. Transport documents must accompany shipments with emergency response information, and route planning should avoid environmentally sensitive areas due to aquatic toxicity classification.

Is methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate subject to specific regulations?

The substance falls under REACH regulation requiring registration for commercial use in Europe, with CLP classification mandating specific labeling and safety data sheet requirements. While not currently listed as SVHC, its Carc. 2 and Muta. 2 classifications subject it to strict occupational exposure controls and authorization procedures. National regulations may impose additional restrictions on manufacturing, import, and use due to its hazardous properties and environmental impact potential.

Where to buy methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate in Europe?

OYSI serves as a reliable European distributor for methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate, providing comprehensive regulatory compliance and technical support. As specialized distributors of chemical products, OYSI ensures proper documentation, safety data sheets, and regulatory compliance for professional customers. Due to the substance's hazardous classification, purchases require verification of legitimate use, appropriate handling capabilities, and compliance with applicable regulations for carcinogenic substances.

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Data Sources

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