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2-Fluorobenzyl isocyanate - 97%, high purity , CAS No.132740-44-4

COA

Grade & Purity:

≥97%

Cas Number: 132740-44-4
Molecular Weight: 151.14
PubChem CID: 643498

In stock

Item Number

F166980

Grouped product items
SKU	Size	Availability	Price
F166980-100mg	100mg	3	$19.90
F166980-250mg	250mg	3	$39.90
F166980-1g	1g	2	$106.90

Discover 2-Fluorobenzyl isocyanate by Aladdin Scientific in 97% for only $19.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	DTXSID10349199 \| SCHEMBL6049 \| UKESSRSRKDVNBC-UHFFFAOYSA-N \| 1-fluoro-2-isocyanatomethyl-benzene \| benzene, 1-fluoro-2-(isocyanatomethyl)- \| 2-Fluorobenzyl isocyanate, 97% \| 2-Fluorobenzyl isocyanate \| A806487 \| BP-20264 \| J-006215 \| EN300-270962 \| AS-802
Specifications & Purity	≥97%
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 Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl fluoride - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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-2-(isocyanatomethyl)benzene
INCHI	InChI=1S/C8H6FNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
InChIKey	UKESSRSRKDVNBC-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CN=C=O)F
Isomeric SMILES	C1=CC=C(C(=C1)CN=C=O)F
WGK Germany	3
Molecular Weight	151.14
Reaxy-Rn	9995253
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9995253&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
L2321038	Certificate of Analysis	Nov 29, 2023	F166980
L2321090	Certificate of Analysis	Nov 29, 2023	F166980
L2321091	Certificate of Analysis	Nov 29, 2023	F166980
L2321092	Certificate of Analysis	Nov 29, 2023	F166980
L2321094	Certificate of Analysis	Nov 29, 2023	F166980
L2321093	Certificate of Analysis	Nov 29, 2023	F166980

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	n20/D 1.505 (lit.)
Flash Point(°F)	194 °F
Flash Point(°C)	90 °C
Boil Point(°C)	202 °C (lit.)
Molecular Weight	151.140 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
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	165.000
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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