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1-Bromo-4-Isocyanobenzene - 95%, high purity , CAS No.33554-73-3

COA

Grade & Purity:

≥95%

Cas Number: 33554-73-3
Molecular Weight: 182.02
MDL number: MFCD04117594
PubChem CID: 2757129
PubChem SID: 504761497

In stock

Item Number

B303469

Grouped product items
SKU	Size	Availability	Price
B303469-250mg	250mg	6	$45.90
B303469-1g	1g	3	$113.90
B303469-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$508.90

Basic Description

Synonyms	1-bromo-4-isocyanobenzene \| 33554-73-3 \| 4-Bromophenylisocyanide \| 4-bromophenyl-isocyanide \| SCHEMBL997985 \| LCZC3172 \| DTXSID00373741 \| BBL020634 \| MFCD04117594 \| STK893324 \| AKOS001476182 \| GS-0287 \| FT-0639111 \| E78470 \| EN300-1176974 \| A875254 \| p-bromophenyl isocyanide; TOS-BB-077
Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

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 Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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

Pubchem Sid	504761497
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761497
IUPAC Name	1-bromo-4-isocyanobenzene
INCHI	InChI=1S/C7H4BrN/c1-9-7-4-2-6(8)3-5-7/h2-5H
InChIKey	UVXCIFWBXFTMOD-UHFFFAOYSA-N
Smiles	[C-]#[N+]C1=CC=C(C=C1)Br
Isomeric SMILES	[C-]#[N+]C1=CC=C(C=C1)Br
Molecular Weight	182.02
Reaxy-Rn	3088628
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3088628&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.

5 results found

Lot Number	Certificate Type	Date	Item
J2218574	Certificate of Analysis	Jul 29, 2022	B303469
J2218608	Certificate of Analysis	Jul 29, 2022	B303469
F23021148	Certificate of Analysis	Jul 29, 2022	B303469
J2218613	Certificate of Analysis	Jul 29, 2022	B303469
C2515113	Certificate of Analysis	Jul 29, 2022	B303469

Chemical and Physical Properties

Molecular Weight	182.020 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	180.953 Da
Monoisotopic Mass	180.953 Da
Topological Polar Surface Area	4.400 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	127.000
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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