Benzyl carbonochloridate

C8H7ClO2

benzyl carbonochloridate

CAS501-53-1
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
501-53-1
EC Number
207-925-0
UN Number
1739
Index Number
607-064-00-4
PubChem CID
10387

Physical-chemical properties

Molecular Formula
C8H7ClO2
Molar Mass
170.59 g/mol
IUPAC Name
benzyl carbonochloridate

Chemical Identifiers

InChI
InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key
HSDAJNMJOMSNEV-UHFFFAOYSA-N

Overview

Benzyl carbonochloridate (CAS 501-53-1) is a reactive chloroformate ester with strong acylating properties and significant corrosive characteristics. This organic compound, with the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol, belongs to the chloroformate family of chemicals widely used in synthetic chemistry. Benzyl carbonochloridate is characterized by its high reactivity due to the presence of both the carbonyl chloride functional group and the benzyl moiety, making it a valuable intermediate in various chemical transformations. The compound is classified under European regulation EC 207-925-0 and presents significant safety considerations due to its corrosive nature and environmental impact. From a safety perspective, benzyl carbonochloridate carries a "Danger" signal word and is classified as Skin Corr. 1B, indicating severe skin corrosion potential. The compound also presents aquatic toxicity concerns (Aquatic Acute 1 and Aquatic Chronic 1), requiring careful environmental handling protocols. Its ADR transport classification as Class 8 reflects its corrosive properties, necessitating specialized storage and transportation procedures. The associated GHS pictograms GHS05 and GHS09 warn of both corrosive and environmental hazards. In industrial applications, benzyl carbonochloridate serves primarily as a protecting group reagent in organic synthesis, particularly for amine functionalities in pharmaceutical manufacturing. It is also utilized in the production of carbamate pesticides and as an intermediate in specialty chemical synthesis. Unlike simpler compounds such as N-cyclohexylcyclohexanamine, benzyl carbonochloridate offers specific reactivity patterns that make it indispensable for complex molecular transformations. OYSI provides benzyl carbonochloridate to industrial customers across Europe, ensuring compliance with all relevant safety and transportation regulations.

Safety & Classification

Danger
Classification:

Skin Corr. 1B; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H314

Causes severe skin burns and eye damage.

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

Skin Contact

Harmful

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 Number1739
ADR Class8
Packing GroupI
Tunnel CodeE
Proper Shipping NameBenzylchlorformiat
Marine PollutantNo

Frequently Asked Questions

What is benzyl carbonochloridate?

Benzyl carbonochloridate is an organic chemical compound with the molecular formula C8H7ClO2 and CAS number 501-53-1. This substance belongs to the chloroformate family and has a molecular weight of 170.59 g/mol. It is classified as a highly corrosive material that poses significant risks to skin and aquatic environments, requiring careful handling and specialized safety measures in industrial applications.

What are the physicochemical properties of benzyl carbonochloridate?

Benzyl carbonochloridate is a liquid chemical compound that typically appears as a colorless to pale yellow solution. It has a pungent, irritating odor characteristic of chloroformates. The substance is reactive with water and moisture, leading to hydrolysis reactions. It has limited solubility in water due to its reactive nature but is generally soluble in organic solvents such as dichloromethane and toluene.

What is benzyl carbonochloridate used for?

Benzyl carbonochloridate is primarily used as a protecting group reagent in organic synthesis, particularly for amino acids and peptides. It serves as an intermediate in pharmaceutical manufacturing and fine chemical synthesis. The compound is valuable in the production of carbamate derivatives and is commonly employed in research laboratories for organic chemistry applications where selective protection of amine groups is required.

How to handle benzyl carbonochloridate safely?

Benzyl carbonochloridate must be handled with extreme caution due to its corrosive nature (Skin Corr. 1B classification). Essential personal protective equipment includes chemical-resistant gloves, safety goggles, face shield, and protective clothing. Work should be conducted in a well-ventilated fume hood to prevent inhalation exposure. Avoid contact with skin, eyes, and clothing, and ensure emergency shower and eyewash stations are readily accessible.

How to store benzyl carbonochloridate correctly?

Benzyl carbonochloridate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers away from moisture and water to prevent hydrolysis reactions. Store separately from incompatible materials such as alcohols, amines, and strong bases. Ensure storage areas have appropriate spill containment measures and are accessible only to trained personnel with proper safety equipment.

What to do in case of contact with benzyl carbonochloridate?

Immediate action is critical due to the corrosive nature of benzyl carbonochloridate. For skin contact, immediately remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek immediate medical attention in all cases of exposure and provide safety data sheet to medical personnel.

How to dispose of benzyl carbonochloridate appropriately?

Benzyl carbonochloridate must be disposed of as hazardous waste according to local and national environmental regulations. The substance cannot be disposed of in regular waste streams due to its corrosive and aquatic toxicity properties. Contact licensed hazardous waste disposal companies for proper collection and treatment. Small laboratory quantities may require neutralization under controlled conditions before disposal, following institutional waste management protocols.

How to transport benzyl carbonochloridate?

Benzyl carbonochloridate is classified as ADR Class 8 (corrosive substances) Packing Group I, indicating high danger level for transport. It requires specialized hazardous materials packaging, labeling with GHS05 and GHS09 pictogramms, and proper shipping documentation. Transportation must comply with ADR regulations for corrosive materials, including use of appropriate containers, vehicle marking, and trained personnel. Only certified carriers should handle the transport of this substance.

Is benzyl carbonochloridate subject to specific regulations?

Benzyl carbonochloridate is subject to various European chemical regulations including REACH registration requirements and CLP classification standards. It carries the signal word 'Danger' and is classified as Skin Corr. 1B and Aquatic Acute/Chronic 1. While not listed as a SVHC substance, it requires compliance with occupational safety regulations and environmental protection measures due to its hazardous properties and aquatic toxicity profile.

Where to buy benzyl carbonochloridate in Europe?

Benzyl carbonochloridate is available through OYSI, a specialized European distributor of technical chemicals. As an established chemical supplier, OYSI provides this substance to qualified industrial and research customers across Europe. Due to the hazardous nature of this compound, purchases typically require demonstration of proper handling capabilities, safety equipment, and waste disposal arrangements. Contact OYSI directly for availability, technical specifications, and regulatory documentation.

Data Sources

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