3-(Trifluoromethyl)phenyl Isocyanate

Name: 3-(Trifluoromethyl)phenyl Isocyanate
Brand: Zemixal
SKU: ZX-034275

Reference StandardAvailable on request

Buy 3-(Trifluoromethyl)phenyl Isocyanate (CAS 329-01-1) from Zemixal: C8H4F3NO, COA and SDS with every lot, worldwide shipping.

Pack sizes

3-(Trifluoromethyl)phenyl Isocyanate chemical structure

CAS number329-01-1

FormulaC₈H₄F₃NO

Molar mass187.12 g/mol

Physical formSolid

HS code38229090

InChIKeySXJYSIBLFGQAND-UHFFFAOYSA-N

IUPAC name1-isocyanato-3-(trifluoromethyl)benzene

About 3-(Trifluoromethyl)phenyl Isocyanate

3-(Trifluoromethyl)phenyl Isocyanate belongs to the Sorafenib reference-standard family in the Zemixal catalogue. For your records (Reference Standard), the material is defined by CAS 329-01-1, formula C8H4F3NO and molar mass 187.12 g/mol. It is handled as a solid.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Handling and storage

It carries the GHS signal word Danger (H226, H302, H315 and H317), so wear gloves and eye protection and work with good ventilation.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. You receive a certificate of analysis with characterisation data with each order. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Sorafenib

See every impurity, metabolite and related compound we list for this API.

Sorafenib standards

Typical uses

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications of 3-(Trifluoromethyl)phenyl Isocyanate
Product name	3-(Trifluoromethyl)phenyl Isocyanate
Catalogue number	ZX-034275
CAS number	329-01-1
IUPAC name	1-isocyanato-3-(trifluoromethyl)benzene
Molecular formula	C₈H₄F₃NO
Molar mass	187.12 g/mol
Exact mass	187.0245
Grade	Reference Standard
Physical form	Solid
XLogP3	4.1
H-bond donors / acceptors	0 / 5
Topological polar surface area	29.4 Å²
HS code	38229090
InChIKey	SXJYSIBLFGQAND-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)N=C=O)C(F)(F)F
PubChem CID	9483
Synonyms	Benzene, 1-isocyanato-3-(trifluoromethyl)-, alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate, m-(Trifluoromethyl)phenyl isocyanate, alpha,alpha,alpha-Trifluoro-3-tolyl isocyanate, 1-isocyanato-3-trifluoromethylbenzene, (alpha,alpha,alpha-Trifluoro-m-tolyl) isocyanate, ISOCYANIC ACID, (m-TRIFLUOROMETHYLPHENYL) ESTER, Isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl ester, .alpha.,.alpha.,.alpha.-Trifluoro-3-tolyl isocyanate, .alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl isocyanate, Isocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl ester, Isocyanic acid m-trifluoromethylphenyl ester

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

Safety and GHS hazards

Flammable

Acute toxicity

Irritant or harmful

Health hazard

Signal word Danger

H226Flammable liquid and vapor
H302Harmful if swallowed
H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H330Fatal if inhaled
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation

Precautionary statements P210, P233, P240, P241, P242, P243, P260, P261, P264, P264 + P265, P270, P271, P272, P280, P284, P301 + P317, P302 + P352, P303 + P361 + P353, P304 + P340, P305 + P351 + P338, P316, P319, P320, P321

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 3-(Trifluoromethyl)phenyl Isocyanate
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

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

Questions about 3-(Trifluoromethyl)phenyl Isocyanate

Which CAS number identifies 3-(Trifluoromethyl)phenyl Isocyanate?

3-(Trifluoromethyl)phenyl Isocyanate is registered under CAS 329-01-1. You may also see it listed as Benzene, 1-isocyanato-3-(trifluoromethyl)-, alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate, m-(Trifluoromethyl)phenyl isocyanate. Our catalogue number for this item is ZX-034275.

What are the formula and molar mass of 3-(Trifluoromethyl)phenyl Isocyanate?

For 3-(Trifluoromethyl)phenyl Isocyanate, its formula is C8H4F3NO and its molar mass is 187.12 g/mol. The systematic (IUPAC) name is 1-isocyanato-3-(trifluoromethyl)benzene. InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N lets you match it in any structure database.

How is 3-(Trifluoromethyl)phenyl Isocyanate used in pharmaceutical QC?

3-(Trifluoromethyl)phenyl Isocyanate is a characterised reference material linked to Sorafenib. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.

What grade and pack sizes are available for 3-(Trifluoromethyl)phenyl Isocyanate?

This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.

Which documents come with 3-(Trifluoromethyl)phenyl Isocyanate?

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 3-(Trifluoromethyl)phenyl Isocyanate to my country?

Yes. Because 3-(Trifluoromethyl)phenyl Isocyanate 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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