4-Chloro-1-isocyanato-2-(trifluoromethyl)benz… 16588-69-5

About 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene

4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene is a fluorinated building block carrying the CAS registry number 16588-69-5. The compound has the formula C8H3ClF3NO, corresponding to a molecular weight of 221.56 g/mol. Alternative names: 4-Chloro-2-(trifluoromethyl)phenyl isocyanate and 4-Chloro-2-(trifluoromethyl)phenylisocyanate.

Store in a tightly closed container in a cool, dry and well-ventilated place. It carries the GHS signal word “Danger” with 7 hazard statements. Review the Safety Data Sheet before use.

Key uses span organic synthesis and API synthesis. Typical end-use sectors are pharmaceutical manufacturing, academic and industrial research and agrochemical production.

Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request. Larger quantities and custom packaging are available. Request a quote for pricing and lead time.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene
Catalogue No.	VQ-050795
CAS Number	16588-69-5
IUPAC name	4-chloro-1-isocyanato-2-(trifluoromethyl)benzene
Molecular formula	C₈H₃ClF₃NO
Molecular weight	221.56 g/mol
Exact mass	220.9855
HSN code	2933
InChIKey	SBDPJLJFODHSFF-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1Cl)C(F)(F)F)N=C=O
PubChem CID	2733264

Physical properties
Physical form	Other
LogP (XLogP3)	4.2
H-bond donors / acceptors	0 / 5
TPSA	29.4 Å²
Synonyms	4-Chloro-2-(trifluoromethyl)phenyl isocyanate, Benzene, 4-chloro-1-isocyanato-2-(trifluoromethyl)-, 4-Chloro-2-(trifluoromethyl)phenylisocyanate, 4-chloro-2-(trifluoromethyl)benzenisocyanate, 5-Chloro-2-isocyanatobenzotrifluoride, 4-chloro-2-trifluoromethylphenyl isocyanate, 4-chloro-2-(trifluoromethyl)-isocyanatobenzene

Safety & hazard information (GHS)

Harmful / irritant

Health hazard

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H312Harmful in contact with skin
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335May cause respiratory irritation

Precautionary statements: P233, P260, P261, P264, P264 + P265, P270, P271, P280, P284, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P317, P319, P321, P330, P332 + P317, P337 + P317, P342 + P316, P362 + P364, P403, P403 + P233, P405

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene?

The CAS Registry Number of 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene is 16588-69-5. It is also known as 4-Chloro-2-(trifluoromethyl)phenyl isocyanate, Benzene, 4-chloro-1-isocyanato-2-(trifluoromethyl)-, 4-Chloro-2-(trifluoromethyl)phenylisocyanate.

What is the molecular formula and molecular weight of 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene?

4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene has the molecular formula C8H3ClF3NO and a molecular weight of 221.56 g/mol. Its IUPAC name is 4-chloro-1-isocyanato-2-(trifluoromethyl)benzene.

Which grade and pack sizes of 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene can I order?

We supply 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene?

Yes. Every lot of 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene be shipped internationally?

Yes. 4-Chloro-1-isocyanato-2-(trifluoromethyl)benzene is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.