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4-Fluoro-3-methylphenyl isocyanate - 98%, high purity , CAS No.351003-65-1

COA

Grade & Purity:

≥98%

Cas Number: 351003-65-1
Molecular Weight: 151.14
PubChem CID: 4093965

In stock

Item Number

F169799

Grouped product items
SKU	Size	Availability	Price
F169799-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
F169799-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
F169799-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$465.90

Basic Description

Synonyms	SCHEMBL418944 \| DTXSID40399243 \| 4-Fluoro-3-methylphenyl isocyanate, 98% \| AS-18942 \| J-019936 \| QLOBMZKAOAACPA-UHFFFAOYSA-N \| GEO-03121 \| 1-fluoro-4-isocyanato-2-methylbenzene \| 1-fluoro-4-isocyanato-2-methyl-benzene \| 2-fluoro-4-isocyanato-1-methyl-benz
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.
Product Description	4-Fluoro-3-methylphenyl isocyanate participates as a reactant in the synthesis of guanidinylated 2,5-dideoxystreptamine derivative.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Toluenes Aryl fluorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	1-fluoro-4-isocyanato-2-methylbenzene
INCHI	InChI=1S/C8H6FNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3
InChIKey	QLOBMZKAOAACPA-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)N=C=O)F
Isomeric SMILES	CC1=C(C=CC(=C1)N=C=O)F
WGK Germany	3
Molecular Weight	151.14
Reaxy-Rn	10334970
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10334970&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.5120 (lit.)
Flash Point(°F)	134.6 °F
Flash Point(°C)	57 °C
Boil Point(°C)	186 °C (lit.)
Molecular Weight	151.140 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.043 Da
Monoisotopic Mass	151.043 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	177.000
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

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