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3-Bromo-5-nitrotoluene - 97%, high purity , CAS No.52488-28-5

COA

Grade & Purity:

≥97%

Cas Number: 52488-28-5
Molecular Weight: 216.03
PubChem CID: 104213
PubChem SID: 488187350

In stock

Item Number

B184972

Grouped product items
SKU	Size	Availability	Price
B184972-1g	1g	5	$9.90
B184972-5g	5g	4	$16.90
B184972-10g	10g	1	$30.90
B184972-25g	25g	2	$48.90
B184972-100g	100g	3	$161.90

Basic Description

Synonyms	3-Bromo-5-nitrotoluene \| 52488-28-5 \| 1-bromo-3-methyl-5-nitrobenzene \| MFCD06659815 \| Benzene, 1-bromo-3-methyl-5-nitro- \| (-)-ephedrin \| EINECS 257-955-3 \| SCHEMBL810499 \| 3-BROMO-5-NITROTLOLUENE \| DTXSID00200482 \| MWFDNXJPZUOTJB-UHFFFAOYSA-N \| AMY40730 \| BCP26878 \| CL8829 \| AKOS0
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitrotoluenes Nitroaromatic compounds Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	488187350
IUPAC Name	1-bromo-3-methyl-5-nitrobenzene
INCHI	InChI=1S/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
InChIKey	MWFDNXJPZUOTJB-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)Br)[N+](=O)[O-]
Isomeric SMILES	CC1=CC(=CC(=C1)Br)[N+](=O)[O-]
Molecular Weight	216.03
Reaxy-Rn	2250155
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2250155&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
H2310380	Certificate of Analysis	Sep 15, 2022	B184972
H2310379	Certificate of Analysis	Sep 15, 2022	B184972
H2310385	Certificate of Analysis	Sep 15, 2022	B184972
L2203253	Certificate of Analysis	Sep 14, 2022	B184972
L2203256	Certificate of Analysis	Sep 14, 2022	B184972
L2203259	Certificate of Analysis	Sep 14, 2022	B184972
L2203252	Certificate of Analysis	Sep 14, 2022	B184972
L2203228	Certificate of Analysis	Sep 14, 2022	B184972
L2203254	Certificate of Analysis	Sep 14, 2022	B184972
L2203258	Certificate of Analysis	Sep 14, 2022	B184972

Chemical and Physical Properties

Molecular Weight	216.030 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	214.958 Da
Monoisotopic Mass	214.958 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
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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