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2-Bromotriphenylene - 99%, high purity , CAS No.19111-87-6

COA

Grade & Purity:

≥99%

Cas Number: 19111-87-6
Molecular Weight: 307.19
MDL number: MFCD16659043
PubChem CID: 18381174
PubChem SID: 504768694

In stock

Item Number

B398216

Grouped product items
SKU	Size	Availability	Price
B398216-1g	1g	3	$106.90
B398216-5g	5g	5	$309.90
B398216-25g	25g	3	$1,064.90
B398216-100g	100g	2	$3,433.90

Basic Description

Synonyms	2-BROMOTRIPHENYLENE \| 19111-87-6 \| 2-Bromobenzo[9,10]phenanthrene \| Triphenylene, 2-bromo- \| 2-Bromo-triphenylene \| MFCD16659043 \| SCHEMBL312606 \| DTXSID20593308 \| GEDOYYDMCZUHNW-UHFFFAOYSA-N \| AMY18709 \| BCP19007 \| CX1034 \| AKOS015899578 \| CS-W021630 \| DS-6344 \| OL10157 \| SY019512 \| B444
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives
    - Subclass Triphenylenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Triphenylenes
Intermediate Tree Nodes	Not available
Direct Parent	Triphenylenes
Alternative Parents	Naphthalenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Triphenylene - 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 triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
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	504768694
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768694
IUPAC Name	2-bromotriphenylene
INCHI	InChI=1S/C18H11Br/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKey	GEDOYYDMCZUHNW-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C4=CC=CC=C24
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C4=CC=CC=C24
Molecular Weight	307.19
Reaxy-Rn	2272673
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2272673&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
F2302965	Certificate of Analysis	Feb 16, 2022	B398216
C2215424	Certificate of Analysis	Feb 16, 2022	B398216
C2215413	Certificate of Analysis	Feb 16, 2022	B398216
C2215420	Certificate of Analysis	Feb 16, 2022	B398216
C2215389	Certificate of Analysis	Feb 16, 2022	B398216

Chemical and Physical Properties

Solubility	Soluble in toluene
Melt Point(°C)	132.0 to 136.0 °C
Molecular Weight	307.200 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	306.004 Da
Monoisotopic Mass	306.004 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	326.000
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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