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4-Fluoro-2-nitrophenyl isocyanate - 95%, high purity , CAS No.190774-51-7

COA

Grade & Purity:

≥95%

Cas Number: 190774-51-7
Molecular Weight: 182.11
MDL number: MFCD00673051
PubChem CID: 2733378

In stock

Item Number

F300099

Grouped product items
SKU	Size	Availability	Price	Qty
F300099-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90
F300099-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$343.90

Discover 4-Fluoro-2-nitrophenyl isocyanate by Aladdin Scientific in 95% for only $120.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Fluoro-2-nitrophenyl isocyanate, 95% \| DTXSID50369876 \| Benzene, 4-fluoro-1-isocyanato-2-nitro- \| 4-Fluoro-2-nitrophenyl isocyanate \| 4-fluoro-1-isocyanato-2-nitrobenzene \| J-012316 \| SCHEMBL1019385
Specifications & Purity	≥95%
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 Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Fluorobenzenes Aryl fluorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Isocyanate - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	4-fluoro-1-isocyanato-2-nitrobenzene
INCHI	InChI=1S/C7H3FN2O3/c8-5-1-2-6(9-4-11)7(3-5)10(12)13/h1-3H
InChIKey	CPPNERLQTDSECZ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)[N+](=O)[O-])N=C=O
Isomeric SMILES	C1=CC(=C(C=C1F)[N+](=O)[O-])N=C=O
WGK Germany	3
Molecular Weight	182.11
Reaxy-Rn	22027457
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22027457&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)	230 °F
Flash Point(°C)	110 °C
Melt Point(°C)	52-56 °C
Molecular Weight	182.110 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	182.013 Da
Monoisotopic Mass	182.013 Da
Topological Polar Surface Area	75.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	247.000
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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