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1,3-Dibromo-7-tert-butylpyrene - >97.0%, high purity , CAS No.1005771-04-9

COA

Grade & Purity:

≥97%

Cas Number: 1005771-04-9
Molecular Weight: 416.16
PubChem CID: 57953468
PubChem SID: 504771645

In stock

Item Number

D155398

Grouped product items
SKU	Size	Availability	Price
D155398-100mg	100mg	3	$10.90
D155398-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
D155398-1g	1g	2	$80.90
D155398-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$266.90

View related series

Pyrenes (21) Small molecule semiconductor block (414)

Basic Description

Synonyms	DTXSID70728461 \| AKOS025293941 \| AS-65380 \| 1,3-Dibromo-7-tert-butylpyrene \| D4187 \| 1,3-di-bromo-7-t-butylpyrene \| 1,3-dibromo-7-t-butylpyrene \| FT-0712228 \| MFCD22581440 \| T70006 \| BARYQDOQFLJABV-UHFFFAOYSA-N \| 1005771-04-9 \| Pyrene, 1,3-dibromo-7-(1,1-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Pyrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Pyrenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrenes
Alternative Parents	Phenanthrenes and derivatives Naphthalenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Pyrene - Phenanthrene - Naphthalene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
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	504771645
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771645
IUPAC Name	1,3-dibromo-7-tert-butylpyrene
INCHI	InChI=1S/C20H16Br2/c1-20(2,3)13-8-11-4-6-14-16(21)10-17(22)15-7-5-12(9-13)18(11)19(14)15/h4-10H,1-3H3
InChIKey	BARYQDOQFLJABV-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4Br)Br)C=C2
Isomeric SMILES	CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4Br)Br)C=C2
Molecular Weight	416.16
Reaxy-Rn	19158985
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19158985&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.

4 results found

Lot Number	Certificate Type	Date	Item
E2025024	Certificate of Analysis	Mar 12, 2024	D155398
F2330072	Certificate of Analysis	Jan 25, 2022	D155398
C1812213	Certificate of Analysis	Jan 25, 2022	D155398
C1812215	Certificate of Analysis	Jan 25, 2022	D155398

Chemical and Physical Properties

Molecular Weight	416.100 g/mol
XLogP3	8.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	415.96 Da
Monoisotopic Mass	413.962 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	396.000
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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