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4-Bromo-2-ethylphenyl isocyanate - 95%, high purity , CAS No.480439-24-5

COA

Grade & Purity:

≥95%

Cas Number: 480439-24-5
Molecular Weight: 226.07
PubChem CID: 4426496

In stock

Item Number

B352023

Grouped product items
SKU	Size	Availability	Price
B352023-250mg	250mg	3	$124.90
B352023-1g	1g	3	$228.90
B352023-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$794.90

Basic Description

Synonyms	DTXSID50403168 \| EN300-272509 \| 4-bromo-2-ethyl-1-isocyanatobenzene \| 4-Bromo-2-ethylphenyl isocyanate, 95% \| 4-bromo-2-ethylphenylisocyanate \| SCHEMBL3843325 \| 4-Bromo-2-ethylphenyl isocyanate
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 Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl bromide - Aryl halide - Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom 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	4-bromo-2-ethyl-1-isocyanatobenzene
INCHI	InChI=1S/C9H8BrNO/c1-2-7-5-8(10)3-4-9(7)11-6-12/h3-5H,2H2,1H3
InChIKey	FLIAQDYICDWTPW-UHFFFAOYSA-N
Smiles	CCC1=C(C=CC(=C1)Br)N=C=O
Isomeric SMILES	CCC1=C(C=CC(=C1)Br)N=C=O
WGK Germany	3
UN Number	1993
Packing Group	III
Molecular Weight	226.07
Reaxy-Rn	29840344
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29840344&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
G2307229	Certificate of Analysis	May 19, 2023	B352023
G2307231	Certificate of Analysis	May 19, 2023	B352023
G2307230	Certificate of Analysis	May 19, 2023	B352023

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°F)	138.2 °F
Flash Point(°C)	59 °C
Molecular Weight	226.070 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	224.979 Da
Monoisotopic Mass	224.979 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189.000
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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