[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate

C10H12ClN3O2

CAS15271-41-7
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
15271-41-7
UN Number
2757
Index Number
006-065-00-1
PubChem CID
76970394

Physical-chemical properties

Molecular Formula
C10H12ClN3O2
Molar Mass
241.67 g/mol
IUPAC Name
[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate

Chemical Identifiers

InChI
InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)/b14-9+/t5-,6-,7-,8+/m0/s1
InChI Key
QCQPGRMMDFIQMB-JTLQWOPJSA-N

Overview

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate (CAS 15271-41-7) is a bicyclic carbamate compound with potent biological activity and high aquatic toxicity. This complex organic compound represents a specialized carbamate derivative featuring a distinctive bicyclo[2.2.1]heptane framework with multiple stereocenters and functional groups. The molecular structure incorporates a chlorine substituent, a cyano group, and an N-methylcarbamate moiety, resulting in a molecular formula of C10H12ClN3O2 and a molecular weight of 241.67 g/mol. The compound's stereochemistry is precisely defined with (E)-configuration and specific (1S,3R,4R,6R) absolute configurations at the four chiral centers. Safety considerations are paramount when handling this substance, as indicated by its classification under Acute Toxicity categories 2 and 3, requiring the "Danger" signal word and GHS06 skull and crossbones pictogram. The compound also presents environmental concerns with its Aquatic Chronic 2 classification, necessitating the GHS09 environmental hazard pictogram. Transportation falls under ADR class 6.1 for toxic substances, reflecting its hazardous nature. The compound's unique structural features make it valuable in specialized chemical synthesis and research applications, particularly in the development of bioactive molecules and pharmaceutical intermediates. Its bicyclic framework and multiple functional groups provide versatility for further chemical modifications. Unlike simpler compounds such as N-methylaniline, this carbamate derivative offers enhanced structural complexity for advanced synthetic applications. Industrial applications include use as a synthetic intermediate in agrochemical production and as a research compound in medicinal chemistry development. The compound also serves specialized roles in chemical biology studies. OYSI maintains availability of this technical-grade compound for qualified industrial and research customers across Europe.

Safety & Classification

Danger
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H300

Fatal if swallowed.

H411

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

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 Number2757
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name3-Chlor-6-cyanbicyclo[2.2.1]heptan-2-on-O-(N-methylcarbamoyl)oxim
Marine PollutantNo

Frequently Asked Questions

What is [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate is a synthetic organic compound with molecular formula C10H12ClN3O2 and molecular weight 241.67 g/mol. This substance features a bicyclic heptane structure with chloro and cyano substituents, linked to an N-methylcarbamate group. The compound is classified as highly toxic with acute toxicity properties and environmental hazards, requiring careful handling and specialized safety measures due to its dangerous nature.

What are the physico-chemical properties of [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate is an organic solid compound with molecular formula C10H12ClN3O2. The substance contains both polar functional groups (carbamate, nitrile) and nonpolar hydrocarbon regions, affecting its solubility profile. Its bicyclic structure with chlorine substitution influences its stability and reactivity. The compound's physico-chemical behavior is determined by the combination of the rigid bicyclic framework and the reactive carbamate functionality, requiring specific handling conditions.

What is [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate used for?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate is primarily used in specialized chemical applications requiring its unique structural properties. The compound serves in research and development activities, pharmaceutical intermediate synthesis, and specialized industrial processes. Its complex bicyclic structure with functional groups makes it valuable for specific chemical transformations. Due to its high toxicity classification, applications are limited to professional and industrial use under controlled conditions with appropriate safety measures.

How to handle [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate safely?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate requires strict safety protocols due to its Acute Tox. 2 and 3 classifications. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Emergency shower and eyewash stations should be accessible. Handle only trained personnel should work with this substance following established safety procedures and risk assessments.

How to store [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate correctly?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate must be stored in a secure, temperature-controlled environment away from incompatible materials. Keep containers tightly sealed in a cool, dry place with adequate ventilation. Storage areas should be restricted to authorized personnel due to the substance's high toxicity. Ensure proper labeling with hazard information and maintain inventory records. Store away from heat sources, direct sunlight, and incompatible chemicals. Regular inspection of containers for damage or leakage is essential.

What to do in case of contact with [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate?

Immediate medical attention is required for any contact with [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate due to its high acute toxicity. For skin contact, remove contaminated clothing and wash 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 emergency medical care. Contact poison control centers and provide safety data sheet information to medical personnel.

How to dispose of [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate appropriately?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate must be disposed of as hazardous waste through licensed waste management companies. The substance cannot be disposed of in regular waste streams due to its acute toxicity and environmental hazard classifications. Disposal must comply with local, national, and EU waste regulations. Container disposal requires special handling as hazardous waste. Incineration at authorized high-temperature facilities may be appropriate. Consult local environmental authorities and waste disposal specialists for proper disposal procedures and documentation requirements.

How to transport [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate is classified under ADR Class 6.1 (Toxic substances), Packing Group II. Transportation requires specialized dangerous goods packaging, proper labeling with GHS06 and GHS09 pictograms, and dangerous goods documentation. Only certified dangerous goods transporters should handle shipments. Vehicles must carry appropriate emergency equipment and safety information. Drivers require dangerous goods training certification. Emergency response procedures and contact information must accompany shipments. Compliance with international dangerous goods regulations is mandatory for cross-border transport.

Is [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate subject to specific regulations?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate is subject to comprehensive chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently listed as an SVHC (Substance of Very High Concern). Suppliers must provide safety data sheets and ensure proper classification as Acute Tox. 2/3 and Aquatic Chronic 2. Import/export may require permits or notifications depending on quantities and jurisdictions. Users must comply with occupational health and safety regulations due to the substance's toxicity classification and implement appropriate risk management measures.

Where to buy [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate in Europe?

[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this highly regulated substance to qualified industrial and research customers with proper handling capabilities. Due to the substance's acute toxicity classification, purchases require verification of appropriate safety measures and trained personnel. OYSI ensures compliance with European chemical regulations and provides comprehensive safety documentation. Contact OYSI directly for availability, technical specifications, and regulatory compliance support for this specialized chemical compound.

Services for [(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate

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[(E)-[(1S,3R,4R,6R)-3-chloro-6-cyano-2-bicyclo[2.2.1]heptanylidene]amino] N-methylcarbamate is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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