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3-Phenylpropionitrile

CAS 645-59-0C6H5CH2CH2CNChemical Synthesis

3-Phenylpropionitrile (CAS 645-59-0), with the molecular formula C6H5CH2CH2CN and a molecular weight of 131.17 g/mol, is a valuable organic compound. It serves as a key intermediate in chemical synthesis and is utilized in research for studying enzyme activity. This nitrile is a building block for more complex molecules, finding applications in various organic synthesis pathways. Tech Serve Solutions supplies this chemical with a minimum assay of 99%.

IUPAC
Hydrocinnamonitrile
Synonyms
Hydrocinnamonitrile
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3-Phenylpropionitrile (C6H5CH2CH2CN) — chemical structure, CAS 645-59-0; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC8 to C9Chemical SynthesisCyanides/NitrilesNitrogen Compounds
01 /Applications

Chemical Synthesis Intermediate

3-Phenylpropionitrile is employed as a versatile building block in organic synthesis. Its nitrile functionality allows for various chemical transformations, making it useful in the preparation of pharmaceuticals and other fine chemicals.

Enzyme Activity Studies

This compound has been utilised in scientific research to investigate the activity of specific enzymes, such as nitrilase AtNIT1. These studies contribute to a deeper understanding of biochemical processes.

Organic Building Block

As a C8 to C9 organic building block, 3-Phenylpropionitrile is incorporated into more complex molecular structures within research and development settings.

02 /Properties
Molecular weight131.17
Linear formulaC6H5CH2CH2CN
Assay99%
Boiling point113 °C/9 mmHg(lit.)
Density1.001 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.521(lit.)
Application3-Phenylpropionitrile was used to study the free enzyme activity of nitrilase AtNIT11.
Melting point−2-−1 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Toxic (GHS06)
Toxic
Danger

Hazard statements

  • H301Toxic if swallowed
  • H311Toxic in contact with skin
  • H331Toxic if inhaled

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P301IF SWALLOWED
  • P311Call a POISON CENTER or doctor
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point110 °C / 230 °F
Transport (UN / ADR)UN 3276 6.1 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)T
Risk statements (R)23/24/25
Safety statements (S)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
645-59-0
MDL number
MFCD00001961
PubChem substance
24850382
Beilstein registry
636348
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 3-Phenylpropionitrile used for?

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3-Phenylpropionitrile is used as an intermediate in chemical synthesis and in research for studying enzyme activity. It functions as a building block for constructing more complex organic molecules.

What are the CAS number and molecular formula for 3-Phenylpropionitrile?

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The CAS number for 3-Phenylpropionitrile is 645-59-0, and its molecular formula is C6H5CH2CH2CN.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 3-Phenylpropionitrile with a minimum assay of 99%. This product is intended for research and laboratory use. TSS does not represent this product as USP, BP, EP, or pharmacopoeia grade.

How should 3-Phenylpropionitrile be handled safely?

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3-Phenylpropionitrile is classified as toxic if swallowed, in contact with skin, or if inhaled (H301-H311-H331). It requires careful handling with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator. Always consult the Safety Data Sheet (SDS) before use.

How is 3-Phenylpropionitrile packed, shipped, and exported?

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3-Phenylpropionitrile is packed in compliance with relevant regulations for hazardous materials. It is exported globally by Tech Serve Solutions, a specialist supplier since 1998.

How can I request a quote or sample for 3-Phenylpropionitrile?

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To request a quote or a sample of 3-Phenylpropionitrile, please contact our sales team through the TSS website or via direct inquiry. Our representatives will assist you promptly.

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