Skip to the beginning of the images gallery

2-Chloro-4-(trifluoromethyl)phenyl isocyanate - 98%, high purity , CAS No.51488-22-3

COA

Grade & Purity:

≥98%

Cas Number: 51488-22-3
Molecular Weight: 221.56
MDL number: MFCD01863685
PubChem CID: 5102533

In stock

Item Number

B301277

Grouped product items
SKU	Size	Availability	Price	Qty
B301277-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
B301277-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$687.90

Discover 2-Chloro-4-(trifluoromethyl)phenyl isocyanate by Aladdin Scientific in 98% for only $172.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Chloro-4-(trifluoromethyl)phenyl isocyanate \| 51488-22-3 \| 2-chloro-1-isocyanato-4-(trifluoromethyl)benzene \| 2-chloro-4-(trifluoromethyl)phenyl \| SCHEMBL162605 \| DTXSID00408340 \| GEO-00819 \| MFCD01863685 \| AKOS009159411 \| 2-chloro-4-trifluoromethylphenylisocyanate \| BS-42
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Chlorobenzenes Aryl chlorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-chloro-1-isocyanato-4-(trifluoromethyl)benzene
INCHI	InChI=1S/C8H3ClF3NO/c9-6-3-5(8(10,11)12)1-2-7(6)13-4-14/h1-3H
InChIKey	NEURYOYRKPFLKH-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)Cl)N=C=O
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)Cl)N=C=O
WGK Germany	3
Molecular Weight	221.56
Reaxy-Rn	982715
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=982715&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°F)	210.2 °F
Flash Point(°C)	99 °C
Boil Point(°C)	199°C
Molecular Weight	221.560 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	220.986 Da
Monoisotopic Mass	220.986 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	249.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration