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4-Chlorophenyl isocyanate

CAS 104-12-1ClC6H4NCOChemical Synthesis

4-Chlorophenyl isocyanate (CAS: 104-12-1, Formula: ClC6H4NCO) is a reactive organic compound with a molecular weight of 153.57 g/mol. It is primarily utilised as a chemical intermediate and building block in organic synthesis. Known for its role in preparing isothiocyanates, this compound demands careful handling due to its hazardous properties. Tech Serve Solutions supplies 4-Chlorophenyl isocyanate with a purity of 98% for research and industrial applications.

IUPAC
4-Isocyanato chlorobenzene
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4-Chlorophenyl isocyanate (ClC6H4NCO) — chemical structure, CAS 104-12-1; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisIsocyanatesNitrogen CompoundsOrganic Building Blocks
01 /Applications

Synthesis of Isothiocyanates

4-Chlorophenyl isocyanate serves as a crucial reagent in the preparation of various isothiocyanate derivatives. These compounds are valuable intermediates in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals.

Organic Synthesis Building Block

As a versatile isocyanate, this compound functions as a key building block in complex organic synthesis pathways. Its reactive nature allows for the introduction of the 4-chlorophenylcarbamoyl moiety into diverse molecular structures.

Chemical Research

Utilised in laboratories for exploring new reaction methodologies and developing novel chemical entities. Its well-defined reactivity makes it a useful tool for synthetic chemists investigating isocyanate chemistry.

02 /Properties
Molecular weight153.57
Linear formulaClC6H4NCO
Assay98%
Boiling point203-204 °C(lit.)
Density1.2 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.5618(lit.)
Storage temperature2-8°C
Melting point26-29 °C(lit.)
Application4-Chlorophenyl isocyanate was used in the preparation of isothiocyanates1.
03 /Safety & handling
GHS hazard pictogram: Corrosive (GHS05)
Corrosive
GHS hazard pictogram: Toxic (GHS06)
Toxic
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
GHS hazard pictogram: Environmental hazard (GHS09)
Environmental hazard
Danger

Hazard statements

  • H302Harmful if swallowed
  • H315Causes skin irritation
  • H318Causes serious eye damage
  • H330Fatal if inhaled
  • H334May cause allergy or asthma symptoms if inhaled
  • H335May cause respiratory irritation
  • H410Very toxic to aquatic life with long-lasting effects

Precautionary statements

  • P260Do not breathe dust, fume, gas, mist, vapours or spray
  • P273Avoid release to the environment
  • P280Wear protective gloves, clothing and eye/face protection
  • P284Wear respiratory protection
  • P305IF IN EYES
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentEyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Flash point90 °C / 194 °F
Transport (UN / ADR)UN 2811 6.1 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)T+
Risk statements (R)25-26-37/38-41-42
Safety statements (S)23-26-28-36/37/39-45

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
104-12-1
MDL number
MFCD00002024
PubChem substance
24849218
Beilstein registry
386235
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 4-Chlorophenyl isocyanate used for?

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4-Chlorophenyl isocyanate is used as a building block in organic synthesis, notably in the preparation of isothiocyanates and other functionalised organic molecules for research and industrial applications.

What are the CAS number and formula for 4-Chlorophenyl isocyanate?

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The CAS number for 4-Chlorophenyl isocyanate is 104-12-1, and its molecular formula is ClC6H4NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 4-Chlorophenyl isocyanate with a purity of 98%. We do not represent this product as USP, BP, EP, or other pharmacopoeia grades.

How should 4-Chlorophenyl isocyanate be handled safely?

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Due to its hazards (corrosive, toxic by inhalation, harmful if swallowed, causes serious eye damage, respiratory sensitisation), handle 4-Chlorophenyl isocyanate with appropriate personal protective equipment, including eyeshields, faceshields, gloves, and a suitable respirator. Ensure adequate ventilation and avoid contact with skin, eyes, and clothing. Store at 2-8°C.

How is 4-Chlorophenyl isocyanate packed and shipped?

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4-Chlorophenyl isocyanate is packed according to regulatory standards for hazardous materials and is exported globally by Tech Serve Solutions, adhering to all shipping and transportation guidelines for chemicals of this classification (UN 2811, Class 6.1).

How can I request a quote or sample?

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To request a quote or sample of 4-Chlorophenyl isocyanate, please contact our sales department through the website or by calling our customer service line.

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