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2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine - 99.5%, high purity , CAS No.864377-31-1

COA

Grade & Purity:

≥99.5%

Cas Number: 864377-31-1
Molecular Weight: 388.27
MDL number: MFCD22200060
PubChem CID: 58943302
PubChem SID: 504771713

In stock

Item Number

B399716

Grouped product items
SKU	Size	Availability	Price
B399716-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$48.90
B399716-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$171.90
B399716-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$583.90
B399716-100g	100g	2	$1,716.90

Basic Description

Synonyms	2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine \| 864377-31-1 \| MFCD22200060 \| 1,3,5-Triazine, 2-(3-bromophenyl)-4,6-diphenyl- \| SCHEMBL782274 \| AMY1079 \| DTXSID30730666 \| HNZUKQQNZRMNGS-UHFFFAOYSA-N \| BCP12961 \| AKOS016006512 \| CS-W023167 \| OL10193 \| SB66455 \| AC-33528 \| AS-10220 \| SY0
Specifications & Purity	≥99.5%
Storage Temp	Room temperature
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 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bromobenzene - 1,3,5-triazine - Triazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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	504771713
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771713
IUPAC Name	2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine
INCHI	InChI=1S/C21H14BrN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H
InChIKey	HNZUKQQNZRMNGS-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
Isomeric SMILES	C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4
Molecular Weight	388.27
Reaxy-Rn	22257189
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22257189&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
F2202165	Certificate of Analysis	Feb 16, 2022	B399716
F2202166	Certificate of Analysis	Feb 16, 2022	B399716
F2202167	Certificate of Analysis	Feb 16, 2022	B399716
F2202168	Certificate of Analysis	Feb 16, 2022	B399716

Chemical and Physical Properties

Boil Point(°C)	583.6±52.0 °C
Melt Point(°C)	174.0 to 178.0 °C
Molecular Weight	388.300 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	387.037 Da
Monoisotopic Mass	387.037 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	380.000
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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