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Nitriles & Cyanides

4-(Trifluoromethoxy)phenylacetonitrile, 98%

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Buy 4-(Trifluoromethoxy)phenylacetonitrile, 98% (CAS 49561-96-8) from Zemixal. Request a quote with price, lead time and documents.

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4-(Trifluoromethoxy)phenylacetonitrile, 98% chemical structure
CAS number49561-96-8
FormulaC9H6F3NO
Molar mass201.14 g/mol
Physical formLiquid
HS code29420090
Purity98%
InChIKeyLYFCAROXYJTUQF-UHFFFAOYSA-N
IUPAC name2-[4-(trifluoromethoxy)phenyl]acetonitrile

About 4-(Trifluoromethoxy)phenylacetonitrile, 98%

Researchers and plant chemists source 4-(Trifluoromethoxy)phenylacetonitrile, 98% from Zemixal for routine and specialised work. For your records (98%), the material is defined by CAS 49561-96-8, formula C9H6F3NO and molar mass 201.14 g/mol. Typical appearance is colourless to light yellow to yellow solid or liquid.

Where it is used

  • Organic synthesis
  • API synthesis

Safe handling

Literature values: melting point 30-33 °C. Classified under GHS with signal word Danger and hazard statements H301, H302, H312 and H315. Read the SDS before first use.

Standard pack sizes are 1 g, 5 g and 25 g, and custom quantities are quoted on request. Each lot travels with a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of 4-(Trifluoromethoxy)phenylacetonitrile, 98%
Product name4-(Trifluoromethoxy)phenylacetonitrile, 98%
Catalogue numberZX-008710
CAS number49561-96-8
IUPAC name2-[4-(trifluoromethoxy)phenyl]acetonitrile
Molecular formulaC9H6F3NO
Molar mass201.14 g/mol
Exact mass201.0401
Purity / assay98%
Physical formLiquid
AppearanceColourless to light yellow to yellow solid or liquid
Melting point30-33 °C
XLogP33
H-bond donors / acceptors0 / 5
Topological polar surface area33 Ų
HS code29420090
InChIKeyLYFCAROXYJTUQF-UHFFFAOYSA-N
SMILESC1=CC(=CC=C1CC#N)OC(F)(F)F
PubChem CID142676
Synonymsp-Trifluoromethoxyphenyl acetonitrile, 2-(4-(Trifluoromethoxy)phenyl)acetonitrile, 4-(Trifluoromethoxy)benzyl cyanide, 4-trifluoromethoxybenzylcyanide, 4-trifluoromethoxyphenylacetonitrile, 2-[4-(trifluoromethoxy)phenyl]ethanenitrile, Benzeneacetonitrile, 4-(trifluoromethoxy)-, [4-(trifluoromethoxy)phenyl]acetonitrile, 4-trifluorometho, (4-trifluoromethoxy-phenyl)-acetonitrile, 4-trifluoromethoxy-phenylacetonitrile, (4-trifluoromethoxyphenyl)acetonitrile

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS06 Acute toxicity
Acute toxicity
GHS07 Irritant or harmful
Irritant or harmful

Signal word Danger

  • H301Toxic if swallowed
  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled

Precautionary statements P261, P264, P264 + P265, P270, P271, P280, P301 + P316, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P321, P330, P332 + P317, P337 + P317, P362 + P364, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 4-(Trifluoromethoxy)phenylacetonitrile, 98%
1 gQuoted on request
5 gQuoted on request
25 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 4-(Trifluoromethoxy)phenylacetonitrile, 98%

Which CAS number identifies 4-(Trifluoromethoxy)phenylacetonitrile, 98%?
4-(Trifluoromethoxy)phenylacetonitrile, 98% is registered under CAS 49561-96-8. You may also see it listed as p-Trifluoromethoxyphenyl acetonitrile, 2-(4-(Trifluoromethoxy)phenyl)acetonitrile, 4-(Trifluoromethoxy)benzyl cyanide. Our catalogue number for this item is ZX-008710.
What are the formula and molar mass of 4-(Trifluoromethoxy)phenylacetonitrile, 98%?
For 4-(Trifluoromethoxy)phenylacetonitrile, 98%, its formula is C9H6F3NO and its molar mass is 201.14 g/mol. The systematic (IUPAC) name is 2-[4-(trifluoromethoxy)phenyl]acetonitrile. InChIKey LYFCAROXYJTUQF-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for 4-(Trifluoromethoxy)phenylacetonitrile, 98%?
This listing is 98% purity. Standard packs are 1 g, 5 g, 25 g. Larger quantities and custom packing can be quoted on request.
Which documents come with 4-(Trifluoromethoxy)phenylacetonitrile, 98%?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 4-(Trifluoromethoxy)phenylacetonitrile, 98% to my country?
Yes. Because 4-(Trifluoromethoxy)phenylacetonitrile, 98% is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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