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3-Bromobenzophenone - 98%, high purity , CAS No.1016-77-9

COA

Grade & Purity:

≥98%

Cas Number: 1016-77-9
Molecular Weight: 261.11
MDL number: MFCD00672015
PubChem CID: 70548
PubChem SID: 488184552

In stock

Item Number

B472718

Grouped product items
SKU	Size	Availability	Price
B472718-1g	1g	2	$19.90
B472718-5g	5g	3	$79.90
B472718-25g	25g	5	$309.90
B472718-100g	100g	1	$989.90

Basic Description

Synonyms	EINECS 213-808-5 \| A19533 \| AMY6637 \| DTXSID10144045 \| Phenyl(3-bromophenyl) ketone \| MFCD00672015 \| Z385416902 \| 3-Bromobenzophenone \| EN300-250756 \| (3-bromophenyl)(phenyl)methanone \| SCHEMBL40538 \| Methanone, (3-bromophenyl)phenyl- \| FT-0602307 \| XNUMU
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzophenones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzophenones
Intermediate Tree Nodes	Not available
Direct Parent	Benzophenones
Alternative Parents	Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Aryl ketone - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Ketone - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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	488184552
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184552
IUPAC Name	(3-bromophenyl)-phenylmethanone
INCHI	InChI=1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey	XNUMUNIJQMSNNN-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
Isomeric SMILES	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br
WGK Germany	3
Molecular Weight	261.11
Reaxy-Rn	2047053
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047053&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2427184	Certificate of Analysis	May 17, 2024	B472718
F2427185	Certificate of Analysis	May 17, 2024	B472718
F2427202	Certificate of Analysis	May 17, 2024	B472718
F2427203	Certificate of Analysis	May 17, 2024	B472718
B2321671	Certificate of Analysis	Dec 19, 2022	B472718
F23021185	Certificate of Analysis	Dec 19, 2022	B472718
F2302921	Certificate of Analysis	Dec 19, 2022	B472718
B2321673	Certificate of Analysis	Dec 19, 2022	B472718

Chemical and Physical Properties

Melt Point(°C)	74-78℃
Molecular Weight	261.110 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	259.984 Da
Monoisotopic Mass	259.984 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221.000
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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