2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine

C12H19N6OP

CAS1031-47-6
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
1031-47-6
UN Number
2783
Index Number
015-024-00-7
PubChem CID
13943

Physical-chemical properties

Molecular Formula
C12H19N6OP
Molar Mass
294.29 g/mol
IUPAC Name
2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine

Chemical Identifiers

InChI
InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
InChI Key
BABJTMNVJXLAEX-UHFFFAOYSA-N

Overview

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine (CAS 1031-47-6) is an organophosphorus compound with triazole functionality exhibiting high acute toxicity properties. This specialized chemical compound belongs to the family of phosphorylated triazole derivatives, characterized by its unique molecular structure combining a phenyl-substituted triazole ring with a bis(dimethylamino)phosphoryl group. With a molecular formula of C12H19N6OP and molecular weight of 294.29 g/mol, this substance represents a sophisticated example of organophosphorus chemistry applied to heterocyclic systems. The compound's structure features a 1,2,4-triazole core substituted with a phenyl group at position 5 and an amino group at position 3, while position 2 bears the characteristic bis(dimethylamino)phosphoryl moiety. This structural arrangement confers specific chemical properties that make it valuable for specialized industrial applications, though it also necessitates careful handling due to its significant toxicity profile. Safety considerations are paramount when working with this material, as it carries Acute Toxicity classifications of Category 1 and 2, requiring the "Danger" signal word and GHS06 skull and crossbones pictogram. Transport regulations classify it under ADR Class 6.1 for toxic substances, emphasizing the need for appropriate safety protocols and protective equipment during handling and storage. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis and specialty chemical manufacturing. The compound shares structural similarities with other organophosphorus derivatives such as N-[dimethylamino(fluoro)phosphoryl]-N-methylmethanamine, which belongs to the same family of phosphorylated nitrogen-containing compounds used in specialized chemical synthesis. OYSI maintains availability of this high-purity specialty chemical for qualified industrial customers requiring advanced organophosphorus intermediates.

Safety & Classification

Danger
Classification:

Acute Tox. 1; Acute Tox. 2 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

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

Fatal

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 NameTriamiphos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine is an organophosphorus compound with the molecular formula C12H19N6OP and CAS number 1031-47-6. This chemical features a triazole ring system substituted with a phenyl group and a bis(dimethylamino)phosphoryl moiety. With a molecular weight of 294.29 g/mol, it belongs to the class of phosphorylated triazole derivatives and is classified as highly toxic under GHS regulations.

What are the physicochemical properties of 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine has a molecular weight of 294.29 g/mol and contains both hydrophilic (triazole, amino groups) and hydrophobic (phenyl ring) structural elements. The presence of multiple nitrogen atoms and the phosphoryl group suggests potential for hydrogen bonding. Specific physical properties such as melting point, boiling point, and solubility data would require analytical characterization for precise determination.

What is 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine used for?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine is primarily used in specialized research and industrial applications. Given its organophosphorus-triazole structure, it may serve as an intermediate in pharmaceutical synthesis, agrochemical development, or as a specialized reagent in organic chemistry. Its specific applications depend on its unique chemical reactivity profile, though detailed commercial uses require consultation with suppliers for proprietary application information.

How to handle 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine safely?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine must be handled with extreme caution due to its Acute Toxicity Category 1 and 2 classification. Essential personal protective equipment includes nitrile gloves, safety goggles, and respiratory protection. Work only in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Use appropriate containment procedures and ensure emergency equipment is readily available during handling operations.

How to store 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine correctly?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Given its high toxicity classification, storage must comply with local regulations for toxic substances. Keep containers properly labeled and store separately from food, feed, and other consumables. Implement appropriate access controls and inventory management for this hazardous material.

What to do in case of contact with 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine?

Immediate action is critical due to the substance's high toxicity classification. For skin contact, remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, rinse thoroughly with water. In case of ingestion, do not induce vomiting - seek immediate medical attention. Contact emergency services and provide the safety data sheet to medical personnel.

How to dispose of 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine appropriately?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine must be disposed of as hazardous waste according to local and national regulations. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or regular waste streams. Contaminated packaging and materials require similar hazardous waste treatment. Maintain disposal records and ensure compliance with all applicable environmental regulations.

How to transport 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating significant transport hazards. Packaging must comply with UN specifications for toxic substances. Transportation requires appropriate hazard labels, proper documentation, and trained personnel. Emergency response information must accompany shipments. Consult current ADR regulations and qualified dangerous goods specialists for specific packaging and documentation requirements.

Is 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine subject to specific regulations?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification as an acutely toxic substance. While not currently listed as an SVHC, its high toxicity classification subjects it to strict handling, storage, and transport regulations. Users must comply with occupational health standards and may require special permits or notifications depending on quantities and applications.

Where to buy 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine in Europe?

2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine is available through OYSI, a specialized European distributor of technical chemicals. As a regulated toxic substance, procurement requires proper documentation and compliance verification. OYSI provides technical support and regulatory guidance for European customers. Contact OYSI directly to discuss availability, packaging options, and specific requirements for this highly regulated chemical compound in your application.

Services for 2-[bis(dimethylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine

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Data Sources

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