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 a complex organic compound containing thiourea and carbamate functional groups with notable toxicological properties. This specialized chemical compound, registered under EC number 245-740-7, features a molecular formula of C12H14N4O4S2 and a molecular weight of 342.4 g/mol. The molecule's structure incorporates multiple functional groups including methoxycarbonyl, carbamothioyl, and carbamate moieties, which contribute to its unique chemical behavior and reactivity profile. The presence of two sulfur atoms and four nitrogen atoms within the aromatic system creates a highly functionalized compound with specific binding capabilities and chemical properties. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories. The compound is classified as a Category 2 carcinogen and mutagen, indicating potential long-term health risks upon exposure. Additional classifications include Acute Toxicity Category 4, Skin Sensitization Category 1, and severe aquatic toxicity ratings for both acute and chronic exposure scenarios. The GHS pictograms GHS08, GHS07, and GHS09 reflect these health and environmental hazards, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized polymer chemistry. The compound's thiourea functionality makes it valuable in coordination chemistry applications, while its structural similarity to other aromatic compounds like 6-amino-N-methylnaphthalene-2-sulfonamide positions it within specific synthetic pathways for complex organic molecules. OYSI maintains availability of this technical-grade compound for qualified industrial customers requiring specialized chemical intermediates.

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 CAS number 23564-05-8 and molecular formula C12H14N4O4S2. This chemical substance has a molecular weight of 342.4 g/mol and belongs to the carbamate class of compounds, characterized by the presence of multiple carbamothioyl functional groups and sulfur-containing moieties in its structure.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate has a molecular weight of 342.4 g/mol with the formula C12H14N4O4S2. The compound contains sulfur atoms and multiple nitrogen-containing functional groups, which typically influence its solubility and stability characteristics. Specific physical properties such as melting point, appearance, and solubility data should be confirmed through technical documentation from the supplier.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is primarily used in specialized industrial applications requiring its specific chemical properties. Given its complex carbamate structure with sulfur-containing groups, it may serve as an intermediate in pharmaceutical synthesis, agrochemical production, or specialty chemical manufacturing. The exact applications depend on the specific requirements of the end-user industry and should be confirmed with technical specialists.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate requires careful handling due to its classification as Carc. 2, Muta. 2, Acute Tox. 4, and Skin Sens. 1. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or under fume hoods, avoid skin contact and inhalation, and ensure personnel are trained in proper handling procedures for carcinogenic and mutagenic substances.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from light and moisture. Due to its hazard classification including carcinogenic and mutagenic properties, store in designated areas with restricted access, appropriate labeling, and secondary containment measures. Follow local regulations for storage of hazardous chemicals.

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

Immediate action is required upon contact with methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate must be disposed of as hazardous waste due to its carcinogenic, mutagenic, and aquatic toxicity properties. Disposal must comply with local and EU waste regulations, typically requiring treatment by licensed hazardous waste contractors. Never dispose of in regular waste streams or discharge to water systems. Contact specialized waste management companies for proper collection and treatment according to waste classification codes.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transportation requires appropriate packaging, labeling with GHS pictograms (GHS07, GHS08, GHS09), and proper shipping documentation. Vehicles must comply with ADR regulations for Class 9 substances, and drivers need appropriate hazmat training. Ensure packages are properly secured and marked according to international dangerous goods regulations.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is subject to REACH registration requirements and CLP classification regulations in Europe. Although not currently listed as SVHC, its carcinogenic and mutagenic classification (Carc. 2, Muta. 2) places it under strict regulatory oversight. Users must comply with occupational exposure limits, worker protection measures, and may require authorization for certain uses. Regular monitoring of regulatory updates is essential.

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

Methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance with complete regulatory documentation, safety data sheets, and technical support to ensure compliance with European regulations. As a specialized chemical requiring careful handling due to its hazard profile, procurement should only be through qualified distributors who can guarantee product quality and regulatory compliance.

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Data Sources

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